data_2l1w_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 2l1w _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 5' ' ' SER . . . . . 0.464 ' HG ' ' N ' ' A' ' 6' ' ' GLU . 31.4 t . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 120.935 0.398 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.464 ' N ' ' HG ' ' A' ' 5' ' ' SER . 95.4 mt-10 -51.2 -24.67 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.505 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.48 -27.98 64.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.063 0.459 . . . . 0.0 110.754 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -77.32 -55.25 5.56 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.568 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.5 mt -64.51 -32.59 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.188 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.0 t -62.43 -50.56 79.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -53.94 -48.0 70.7 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.555 -0.458 . . . . 0.0 109.83 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.43 ' CZ ' ' O ' ' B' ' 32' ' ' ASN . 44.4 m-85 -66.84 -41.32 87.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.563 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -59.79 -43.78 94.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.222 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -60.23 -51.24 70.43 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.337 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.91 88.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.052 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 29.8 t80 -54.4 -49.51 69.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.076 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.85 -34.06 56.84 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.63 -43.35 93.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.166 0.508 . . . . 0.0 110.652 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -37.85 88.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.499 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -96.05 81.47 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.439 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -54.68 -38.96 67.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.054 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.564 ' O ' ' C ' ' A' ' 23' ' ' GLY . 5.1 p30 -93.61 38.07 1.06 Allowed 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 4.41 68.86 0.01 OUTLIER Glycine 0 N--CA 1.466 0.668 0 O-C-N 123.729 0.643 . . . . 0.0 112.015 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 22' ' ' ASP . 75.1 m-20 -91.15 -23.31 20.3 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.59 -27.7 8.66 Favored Glycine 0 N--CA 1.465 0.613 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 m -135.46 130.85 35.38 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.05 0.452 . . . . 0.0 110.677 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.0 mt -76.26 136.25 25.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.571 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.4 m -106.07 154.87 20.03 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.618 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.1 t -51.43 -44.51 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.085 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -58.84 -58.12 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.469 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 83.5 mt-10 -55.64 -41.66 73.9 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -62.2 -40.52 96.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.061 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.5 96.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.3 m -58.76 -47.75 83.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.367 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.49 -46.02 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.598 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.3 -43.98 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -59.42 -34.82 72.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.22 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 m -89.9 21.68 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.257 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -109.7 12.35 24.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 2.4 m-20 81.45 20.68 0.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 123.303 0.377 . . . . 0.0 110.632 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -157.31 153.61 27.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.28 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.517 ' C ' HD21 ' A' ' 42' ' ' ASN . 0.2 OUTLIER -141.05 77.86 20.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 0.0 110.692 -179.704 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.86 156.88 59.56 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.931 2.421 . . . . 0.0 111.95 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 47' ' ' GLU . 9.3 t -63.84 141.21 58.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.732 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.579 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 1.6 pm0 -63.31 -22.93 67.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.419 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -56.39 -64.17 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.772 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' H ' HG22 ' A' ' 44' ' ' THR . 12.1 pt-20 -62.7 -31.79 72.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.367 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tp -63.21 -47.54 82.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.597 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.05 -42.4 72.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.88 -42.34 85.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -62.15 -43.62 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.572 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.9 mm -65.15 -44.55 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.796 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.5 t -70.83 -23.14 62.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.649 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -63.7 -43.56 96.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.682 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.55 -49.75 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.608 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.5 104.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.775 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.603 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -48.68 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.416 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.529 ' O ' ' C ' ' A' ' 59' ' ' GLY . 41.9 p30 -64.29 10.57 0.06 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.874 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.603 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 19.96 59.98 0.01 OUTLIER Glycine 0 C--N 1.344 1.008 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.4 p-10 -76.03 -14.35 60.21 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.517 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.09 1.66 45.08 Favored Glycine 0 N--CA 1.463 0.437 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -139.93 146.31 39.04 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.945 0.403 . . . . 0.0 110.369 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.1 mt -95.36 121.62 46.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.532 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -84.65 159.54 20.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.088 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -47.85 -50.01 27.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -57.29 -38.29 73.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.849 0.357 . . . . 0.0 110.249 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -71.42 -45.74 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.584 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.36 -45.32 93.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.035 0.445 . . . . 0.0 110.279 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.4 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 1.2 tt -57.72 -63.07 1.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.377 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.0 t -57.96 -41.2 82.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.74 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.0 tp -46.68 -57.01 5.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.819 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.9 mmm -79.44 -53.34 6.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.58 -39.46 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -71.68 -60.67 2.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.78 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -72.73 107.81 5.38 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 56.0 t -157.28 73.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.907 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.418 ' HG3' ' H ' ' A' ' 78' ' ' ASP . 11.9 pttm -122.17 -99.17 0.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.469 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.418 ' H ' ' HG3' ' A' ' 77' ' ' LYS . 67.1 t0 -176.38 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.413 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 0.4 OUTLIER 73.28 -8.56 1.3 Allowed 'General case' 0 CA--C 1.53 0.185 0 O-C-N 123.45 0.469 . . . . 0.0 110.409 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 79' ' ' THR . 73.2 m-20 -152.24 104.7 2.97 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 110.107 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.06 -55.28 11.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.037 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -52.33 -20.98 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.914 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -81.21 -51.89 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.7 ' N ' HH22 ' B' ' 38' ' ' ARG . 3.0 tm-20 -71.92 -39.22 69.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.816 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.9 -37.01 83.56 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.387 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -84.65 -43.89 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.06 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -57.3 -45.74 83.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.082 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.97 -57.42 11.78 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.047 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -53.28 -40.71 64.91 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.47 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -58.07 -38.4 76.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.2 t -73.78 -46.12 48.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -63.46 -49.68 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.449 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' A' ' 96' ' ' GLN . 34.2 t0 -89.59 57.77 4.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.262 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.412 ' HZ1' HH22 ' B' ' 35' ' ' ARG . 3.9 tptt -39.43 -56.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.228 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -66.14 -8.97 27.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 93' ' ' ASP . 27.6 mt-30 49.06 61.63 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.283 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.451 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 37.1 p-10 -103.45 -5.9 22.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.519 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 99' ' ' TYR . . . 96.8 -0.67 61.01 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 6.0 m-85 -141.05 146.01 36.6 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.722 0.296 . . . . 0.0 110.294 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 mt -95.23 113.91 30.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 p -85.4 145.6 27.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.278 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -48.51 -45.54 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.1 p -57.94 -43.68 86.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.9 0.381 . . . . 0.0 111.045 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.11 -43.88 90.6 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.117 0.484 . . . . 0.0 110.167 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.8 tp -73.23 -27.25 61.49 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 102' ' ' ALA . 53.8 ttp180 -63.02 -46.09 89.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.503 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.433 ' C ' ' H ' ' A' ' 109' ' ' MET . 27.6 t-80 -67.89 -56.99 7.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.003 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.6 t -48.76 -16.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.433 ' H ' ' C ' ' A' ' 107' ' ' HIS . 5.3 tpt -90.25 -78.48 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.869 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.528 ' C ' ' H ' ' A' ' 112' ' ' LEU . 17.4 tt -50.91 -36.94 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.257 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 107' ' ' HIS . 27.8 t-20 -52.04 -9.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.493 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 110' ' ' ILE . 92.2 mt -104.81 7.46 34.54 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.75 59.91 1.94 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -149.09 120.68 8.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -97.69 99.64 11.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.376 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.3 mp -89.32 171.18 9.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.241 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.443 ' H ' ' HB2' ' A' ' 120' ' ' GLU . 59.4 p -120.3 164.29 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.443 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 34.0 p-10 -48.8 -43.84 38.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.64 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.0 mt-10 -64.87 -45.07 87.55 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.804 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.443 ' HB2' ' H ' ' A' ' 117' ' ' THR . 97.3 mt-10 -65.73 -40.2 91.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.524 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.22 -42.33 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.362 0.601 . . . . 0.0 110.268 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 95.8 mt-10 -62.39 -60.25 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.401 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.29 -26.36 68.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.527 0.679 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.467 ' SD ' ' CD ' ' B' ' 22' ' ' ARG . 4.7 tpt -59.26 -52.03 67.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.778 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.7 tt -93.42 -37.75 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 65.1 tttm -60.19 -28.72 68.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.961 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -68.95 -50.4 49.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.664 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.02 81.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.173 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 64.5 t0 -63.84 104.52 0.7 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.492 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 52.3 mt -75.09 -28.04 60.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.741 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.441 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 13.9 m-20 -88.73 -1.67 58.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.381 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.23 27.66 24.46 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.532 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.7 p-10 -88.63 19.29 4.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.772 0.32 . . . . 0.0 110.397 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.0 16.57 57.6 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -147.72 152.84 38.46 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.121 0.486 . . . . 0.0 110.45 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.3 t -117.67 124.7 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.545 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.549 HD21 ' H ' ' A' ' 137' ' ' ASN . 0.4 OUTLIER -86.93 156.66 19.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.457 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -53.12 -40.22 64.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.265 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -58.42 -48.83 79.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 0.0 110.447 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 97.7 mt-10 -61.94 -37.26 84.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.461 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -61.81 -48.97 78.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.651 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.89 -46.4 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.314 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -63.65 -36.59 84.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.857 0.36 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.3 ttt -66.93 -33.64 76.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.599 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -20.99 37.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.48 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.8 mmt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.328 -179.799 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.4 ' H2 ' ' H ' ' B' ' 20' ' ' ARG . . . . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.4 ' H ' ' H2 ' ' B' ' 19' ' ' ALA . 9.2 ptm180 -68.86 -25.94 64.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.486 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -68.12 -54.02 21.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.579 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.467 ' CD ' ' SD ' ' A' ' 124' ' ' MET . 11.6 ptp180 -60.17 -39.45 86.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.81 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -49.42 74.94 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 120.511 -0.476 . . . . 0.0 109.923 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -65.88 -36.63 83.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.789 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m -60.17 -42.41 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.931 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -61.42 -43.56 98.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.02 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.43 -43.24 81.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.405 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.1 t -64.35 -45.05 89.48 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.38 -41.33 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.909 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 t -59.42 -40.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -59.98 -43.35 95.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.046 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . 0.43 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 84.5 m-20 -65.28 -41.64 93.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.173 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' B' ' 34' ' ' ALA . 70.8 ttt180 -68.98 -45.16 71.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.477 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 35.31 74.37 0.07 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.412 HH22 ' HZ1' ' A' ' 94' ' ' LYS . 58.4 ttp180 -67.69 -12.92 61.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.908 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.495 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 42.6 ttm180 -105.64 -8.07 18.13 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.158 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.495 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.8 OUTLIER 67.53 69.91 0.36 Allowed 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.055 0.455 . . . . 0.0 110.373 179.349 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.7 HH22 ' N ' ' A' ' 84' ' ' GLU . 62.5 mtp85 -52.91 -41.17 64.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.907 0.384 . . . . 0.0 110.515 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 8.3 tpt -65.99 -62.31 1.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.183 0.516 . . . . 0.0 111.38 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.92 -43.62 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.622 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 36.0 t -57.66 -42.24 83.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.21 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -64.19 -40.19 95.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.359 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.415 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.528 ' C ' ' H ' ' A' ' 7' ' ' GLU . 3.5 m . . . . . 0 C--O 1.224 -0.269 0 CA-C-O 120.644 0.259 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -52.28 -8.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.656 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.547 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 16.2 mp0 -67.84 -45.11 75.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.599 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.536 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 15.6 pt20 -53.37 -49.21 67.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.536 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 37.7 mm -62.42 -41.95 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.806 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.4 t -58.35 -48.33 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.071 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.557 ' CG ' HH12 ' B' ' 33' ' ' ARG . 89.9 m-20 -52.31 -52.66 51.79 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.19 0.519 . . . . 0.0 110.039 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -62.54 -39.54 93.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.329 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -58.92 -42.73 90.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.144 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -57.52 -51.73 68.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.371 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.78 -43.48 69.3 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.389 0.614 . . . . 0.0 110.406 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -60.33 -45.35 93.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.231 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.18 -39.85 58.81 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.55 -43.11 99.63 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.525 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 22.9 m-85 -67.03 -40.83 87.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.732 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.472 ' OD2' ' O ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -89.78 74.29 7.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.898 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -58.65 -40.56 83.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.433 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.544 ' O ' ' C ' ' A' ' 23' ' ' GLY . 2.4 p30 -92.65 33.32 1.14 Allowed 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 17.43 66.67 0.01 OUTLIER Glycine 0 N--CA 1.465 0.621 0 O-C-N 123.344 0.402 . . . . 0.0 112.228 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 53.9 m-20 -92.32 -29.87 16.13 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.65 11.15 20.04 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.472 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 23.5 p -167.09 171.95 10.52 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.906 0.384 . . . . 0.0 110.53 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.1 mt -117.24 123.01 71.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.968 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.39 -167.64 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.018 0.437 . . . . 0.0 110.797 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.07 -45.63 18.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.583 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.54 -41.19 96.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.224 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 80.9 mt-10 -65.57 -49.34 69.21 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.064 0.459 . . . . 0.0 110.216 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.97 -38.83 87.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.969 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.14 94.25 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.122 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -56.87 -48.87 77.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.312 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.443 ' O ' ' OG ' ' A' ' 38' ' ' SER . 91.4 t -61.78 -45.57 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.383 . . . . 0.0 110.453 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.402 HD13 HG22 ' A' ' 36' ' ' ILE . 90.2 mt -64.3 -44.28 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.748 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -62.42 -37.77 87.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.767 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.686 ' C ' ' H ' ' A' ' 40' ' ' ASP . 78.6 p -66.33 -30.58 71.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.359 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.55 14.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.802 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.686 ' H ' ' C ' ' A' ' 38' ' ' SER . 1.4 m-20 70.59 44.11 0.7 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -146.85 158.17 43.85 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.717 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -136.56 71.41 58.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.902 0.382 . . . . 0.0 110.05 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -78.51 154.21 27.43 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.766 2.311 . . . . 0.0 112.516 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.475 HG22 ' H ' ' A' ' 46' ' ' GLU . 89.5 m -68.28 135.58 52.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.518 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -54.99 -39.6 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.496 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.475 ' H ' HG22 ' A' ' 44' ' ' THR . 71.8 mm-40 -48.95 -41.4 33.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.828 0.347 . . . . 0.0 110.335 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.38 -32.61 74.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.61 -44.44 61.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.787 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.81 -36.59 83.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.412 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.48 -49.53 66.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.636 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.2 ttp -65.88 -43.04 89.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.648 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.4 mm -66.22 -43.23 91.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.38 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -68.01 -35.4 78.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.879 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.91 -40.17 75.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.936 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.0 t -93.7 -5.98 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.216 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 44.8 t0 -77.79 98.11 5.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.57 2.07 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 26.5 p30 -129.02 12.8 6.2 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.785 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 41.37 47.57 4.59 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 62' ' ' THR . 41.2 p-10 -108.68 12.56 25.73 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 43.75 17.59 0.06 OUTLIER Glycine 0 N--CA 1.461 0.353 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 60' ' ' ASN . 10.8 p -137.53 138.65 39.85 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 111.094 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.0 mt -97.21 124.12 49.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.625 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -86.57 168.1 13.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.339 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -53.32 -47.29 69.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.486 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -59.38 -39.35 83.04 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 120.946 0.403 . . . . 0.0 110.397 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -73.28 -47.25 44.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.567 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -57.51 -44.65 85.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.001 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.17 -57.59 12.17 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.998 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.1 m -60.17 -41.7 93.4 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.2 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.8 tt -49.14 -57.99 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.635 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mmt -69.84 -42.84 73.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.179 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.99 90.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.675 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -74.71 -61.19 1.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -77.81 124.25 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.028 0.442 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.472 ' CG1' ' H ' ' A' ' 77' ' ' LYS . 11.1 t -141.65 -123.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.321 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.472 ' H ' ' CG1' ' A' ' 76' ' ' VAL . 31.8 ttpt -33.61 146.83 0.02 OUTLIER 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.191 0.307 . . . . 0.0 110.577 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.501 ' O ' ' OG1' ' A' ' 79' ' ' THR . 96.2 m-20 -130.07 22.13 5.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.455 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.501 ' OG1' ' O ' ' A' ' 78' ' ' ASP . 16.9 p 60.05 66.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.332 0.395 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -151.62 107.49 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.56 -55.28 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -53.1 -23.2 7.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.45 ' OE2' ' ND2' ' B' ' 42' ' ' ASN . 45.3 tt0 -81.29 -53.5 6.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.071 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.491 ' CD ' ' NZ ' ' B' ' 31' ' ' LYS . 85.5 tt0 -71.48 -35.05 70.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.393 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.59 -41.22 88.85 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.447 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -84.18 -46.59 11.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.221 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.93 -42.29 89.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.069 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.13 -56.39 15.2 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.15 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -57.0 -41.2 78.03 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.29 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.82 -36.55 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.284 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.5 t -74.09 -54.42 14.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.768 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 5.9 m-30 -55.71 -47.38 76.95 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 96' ' ' GLN . 37.8 t0 -85.48 62.46 7.49 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.261 0.35 . . . . 0.0 110.507 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.418 ' C ' ' H ' ' A' ' 96' ' ' GLN . 55.8 mtpt -40.61 -59.2 1.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.83 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 19.9 p-10 -63.05 -3.98 2.02 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.564 ' N ' ' O ' ' A' ' 93' ' ' ASP . 3.4 pt20 35.72 59.02 0.87 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.665 0.603 . . . . 0.0 110.721 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -100.06 3.63 44.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.21 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.22 0.25 63.45 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.423 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 4.8 m-85 -143.24 148.5 36.52 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.804 0.335 . . . . 0.0 110.402 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.5 mt -97.56 115.31 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.115 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 p -87.07 153.89 21.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.389 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.46 -44.55 89.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.719 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.3 t -61.56 -45.36 94.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -59.98 -53.06 62.25 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.175 0.512 . . . . 0.0 110.401 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.77 -20.61 65.9 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.347 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -82.14 -44.0 17.04 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.429 ' O ' ' OD1' ' A' ' 111' ' ' ASN . 4.0 m80 -54.33 -51.97 63.03 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 109' ' ' MET . 15.4 t -62.4 -63.94 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.951 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 108' ' ' VAL . 6.7 tpt -31.37 -75.59 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.737 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.516 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.59 ' C ' ' H ' ' A' ' 112' ' ' LEU . 19.7 tt -47.19 -50.62 6.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.629 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.496 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 9.1 m120 -47.15 -8.7 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.007 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.59 ' H ' ' C ' ' A' ' 110' ' ' ILE . 90.4 mt -91.61 11.98 22.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 91.99 -46.3 2.68 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -53.35 124.05 13.64 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.993 0.425 . . . . 0.0 110.297 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -98.83 103.04 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 110.468 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 mt -116.06 130.54 56.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.7 p -64.51 168.18 6.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.438 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 46.4 p-10 -66.7 -23.76 66.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.516 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.418 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.2 mt-10 -68.52 -48.43 64.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.706 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.9 -44.36 85.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.618 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.2 t -62.69 -47.87 90.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -62.86 -35.0 78.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.524 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -59.43 -54.14 50.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.618 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.49 ' C ' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -54.46 -39.73 67.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.691 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.432 ' N ' ' HG3' ' A' ' 124' ' ' MET . 2.4 mm -61.78 -41.42 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.387 -176.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -63.53 -33.56 75.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.146 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -75.93 -53.21 8.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.488 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -62.21 -37.54 85.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.398 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 56.9 t0 -74.97 105.55 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.08 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 10.6 mp -66.34 -39.89 89.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.816 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 11.7 m-20 -86.36 1.58 50.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.376 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 49.4 34.76 19.72 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.528 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 15.1 p-10 -96.7 20.41 10.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.745 0.307 . . . . 0.0 110.327 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.519 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 59.84 19.89 51.26 Favored Glycine 0 C--N 1.332 0.313 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -145.15 145.62 31.44 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.909 0.385 . . . . 0.0 110.466 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.3 t -123.54 126.33 72.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.684 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.416 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 11.5 t-20 -88.11 158.61 18.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.628 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -51.9 -41.92 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.233 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -60.37 -49.79 76.2 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.948 0.404 . . . . 0.0 110.393 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 93.2 mt-10 -60.71 -38.63 85.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.41 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -60.88 -47.32 86.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.733 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.9 t -57.88 -47.02 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.347 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -65.16 -36.52 84.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 111.08 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.429 ' SD ' ' C ' ' A' ' 144' ' ' MET . 1.0 OUTLIER -69.28 -35.25 75.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.538 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.7 ttm -75.96 -24.22 55.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.85 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 81.8 mmm . . . . . 0 C--O 1.203 -1.354 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.903 -179.585 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.0 ptt-85 -63.26 -36.15 82.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -65.14 -44.71 87.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.556 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -60.54 -42.98 97.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.288 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.49 ' NE1' ' CE ' ' A' ' 124' ' ' MET . 1.5 m95 -62.27 -50.32 72.16 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.194 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -65.95 -35.02 79.45 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.058 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.0 t -61.23 -44.56 97.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.046 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.427 ' OG ' ' SD ' ' A' ' 109' ' ' MET . 61.7 m -59.26 -45.2 91.85 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.306 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -68.4 -42.74 84.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -61.08 -42.03 97.74 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.666 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.66 -42.09 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.192 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 34' ' ' ALA . 55.5 t -58.52 -42.55 84.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.787 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.491 ' NZ ' ' CD ' ' A' ' 84' ' ' GLU . 23.8 mttp -60.12 -45.59 92.48 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.158 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -70.01 -32.84 71.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.131 0.491 . . . . 0.0 110.063 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.557 HH12 ' CG ' ' A' ' 11' ' ' ASP . 34.7 ttm-85 -101.8 16.12 26.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.564 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 30' ' ' VAL . . . -36.38 91.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.999 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' B' ' 33' ' ' ARG . 58.4 ttp180 -74.09 -16.12 61.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.167 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.484 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 53.7 ttm-85 -94.49 -4.31 48.37 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.062 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.484 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.2 OUTLIER 61.28 67.73 0.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.291 0.567 . . . . 0.0 110.23 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 21.9 mtp-105 -52.94 -42.31 65.3 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.534 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.0 tpt -64.63 -62.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.424 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 97.4 mt -62.92 -43.89 99.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.697 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 93.2 p -57.13 -46.07 82.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.111 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.45 ' ND2' ' OE2' ' A' ' 83' ' ' GLU . 99.1 m-20 -65.56 -41.15 93.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 110.656 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.424 ' OXT' ' O ' ' B' ' 40' ' ' ILE . 1.8 tt . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.388 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.53 ' C ' ' H ' ' A' ' 7' ' ' GLU . 34.1 t . . . . . 0 C--O 1.226 -0.177 0 CA-C-O 120.667 0.27 . . . . 0.0 110.613 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.507 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 49.0 mp0 -50.42 -9.78 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.704 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.53 ' H ' ' C ' ' A' ' 5' ' ' SER . 73.2 mm-40 -69.72 -49.85 49.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.706 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.513 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 1.7 pt20 -49.86 -45.92 50.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.015 0.436 . . . . 0.0 110.028 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.513 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 36.6 mm -65.32 -43.15 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.274 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.3 t -57.87 -47.01 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -57.25 -53.84 53.54 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.159 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.495 ' CZ ' ' ND2' ' B' ' 32' ' ' ASN . 26.9 m-85 -59.5 -43.49 93.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.905 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.74 -39.93 93.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.457 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -58.19 -51.54 69.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.317 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.43 82.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.386 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.79 -49.54 77.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.407 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.71 -34.52 70.73 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.95 -52.21 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.221 0.534 . . . . 0.0 110.713 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.464 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 6.9 m-85 -55.14 -32.82 62.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.46 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -102.98 81.95 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -62.44 -17.06 58.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.274 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 24' ' ' ASP . 45.3 p-10 -114.02 33.05 5.46 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.639 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.78 53.54 0.01 OUTLIER Glycine 0 N--CA 1.475 1.296 0 O-C-N 124.278 0.986 . . . . 0.0 111.582 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 52.3 p-10 -76.5 -28.06 56.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.391 . . . . 0.0 110.471 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 110.53 8.19 25.1 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.1 p -162.91 166.31 24.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.822 0.344 . . . . 0.0 110.382 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 mt -112.48 114.36 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.961 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.1 m -91.87 151.95 20.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.89 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 t -50.64 -44.88 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.737 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.82 -51.89 65.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.52 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -55.45 -43.36 75.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.178 0.513 . . . . 0.0 109.86 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.61 -35.54 80.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.275 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.53 87.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.0 m -59.24 -46.11 89.37 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.233 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.456 ' O ' ' OG ' ' A' ' 38' ' ' SER . 96.4 t -60.15 -46.01 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 40' ' ' ASP . 82.8 mt -60.45 -41.7 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.82 0.343 . . . . 0.0 110.218 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.529 ' O ' ' O ' ' A' ' 40' ' ' ASP . 71.9 ttp85 -57.94 -35.97 71.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.232 0.539 . . . . 0.0 109.808 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 35' ' ' VAL . 50.1 p -66.44 -38.51 87.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.28 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.427 ' N ' ' HG ' ' A' ' 38' ' ' SER . 1.4 pp -103.9 6.75 36.62 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.06 0.457 . . . . 0.0 111.106 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ILE . 14.9 t70 -163.56 174.56 11.64 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 121.18 0.514 . . . . 0.0 110.732 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.92 -94.35 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.602 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.449 ' ND2' ' N ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -178.43 83.4 0.22 Allowed Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 42' ' ' ASN . 53.2 Cg_exo -54.41 -153.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.741 2.294 . . . . 0.0 111.802 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 t -107.98 145.02 34.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.291 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -58.38 -19.08 32.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.726 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -65.39 -47.34 76.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.01 -28.5 68.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.047 0.451 . . . . 0.0 110.624 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.3 mt -78.76 -53.62 6.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -66.19 -28.83 69.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.228 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -68.29 -53.58 23.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.5 mtp -57.25 -46.49 82.98 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.779 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -69.01 -30.64 47.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 t -72.11 -44.08 63.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 123.426 0.454 . . . . 0.0 110.996 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -58.56 -38.33 77.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 t -112.51 50.96 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -105.64 108.34 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.29 -16.92 31.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.242 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.449 ' OD2' ' OE2' ' A' ' 67' ' ' GLU . 4.2 m-20 -120.61 16.4 11.99 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.628 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.74 34.95 0.05 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.467 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 42.7 p-10 -101.77 11.06 39.37 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-O 120.53 0.205 . . . . 0.0 110.706 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.98 20.01 47.26 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.467 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 66.1 p -137.17 158.11 45.17 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.548 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.4 mt -105.8 129.73 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.216 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' GLU . 42.8 tt0 -95.5 156.09 16.47 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.182 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -42.49 -49.89 5.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 110.685 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -62.02 -36.2 80.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.852 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.449 ' OE2' ' OD2' ' A' ' 58' ' ' ASP . 95.4 mt-10 -72.54 -44.77 61.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.398 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.27 -42.7 99.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.797 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -58.49 8.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.545 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 36.3 t -63.35 -39.98 96.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.15 0.5 . . . . 0.0 110.47 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tt -56.46 -43.62 79.74 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.747 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -61.32 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.303 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.541 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -51.55 -47.89 63.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.181 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 70' ' ' SER . 51.2 tttm -65.55 9.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.725 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.541 ' H ' ' C ' ' A' ' 73' ' ' ALA . 52.4 mtmt -147.84 52.66 1.04 Allowed 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.992 -0.443 . . . . 0.0 110.718 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 78' ' ' ASP . 39.1 t -138.58 -70.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.482 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 76' ' ' VAL . 16.2 pttt 31.0 -90.93 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 O-C-N 124.002 0.814 . . . . 0.0 110.418 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -127.84 -50.02 1.35 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.881 179.656 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.7 m 68.93 -62.17 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.37 0.419 . . . . 0.0 110.548 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -173.03 141.78 1.0 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.53 -54.29 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.775 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -56.94 -20.61 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.11 0.481 . . . . 0.0 110.485 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -81.51 -53.44 6.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.148 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -71.43 -36.19 71.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.109 0.481 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.88 -37.29 78.94 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.128 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -82.85 -40.73 19.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.087 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -62.3 -40.81 97.52 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.216 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.16 -58.09 6.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.03 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -54.3 -41.49 69.0 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.253 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -58.46 -35.71 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.491 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 64.4 t -74.88 -51.66 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.937 0.399 . . . . 0.0 111.011 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -59.21 -46.92 87.17 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.214 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 96' ' ' GLN . 35.7 t0 -84.83 63.22 7.91 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.172 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -42.38 -58.56 2.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.843 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -66.83 -2.57 5.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.968 0.413 . . . . 0.0 110.937 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 93' ' ' ASP . 88.7 mt-30 42.17 42.24 2.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.65 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 41.0 p-10 -80.1 -2.24 43.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.736 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.5 -3.36 65.8 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.414 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 2.8 m-85 -139.74 146.22 39.27 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.5 mt -95.29 116.86 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.407 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 5.8 p -87.11 153.34 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.248 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -56.58 -44.99 81.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 68.7 m -59.47 -42.72 92.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.715 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.407 ' H ' ' HG ' ' A' ' 101' ' ' SER . 93.5 mt-10 -65.19 -50.85 64.34 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.095 0.474 . . . . 0.0 110.35 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.6 tp -67.78 -25.89 65.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.351 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 102' ' ' ALA . 43.5 ttm180 -78.41 -45.39 22.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.248 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 103' ' ' SER . 42.3 m-70 -55.33 -49.25 72.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.811 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.571 ' O ' ' N ' ' A' ' 112' ' ' LEU . 48.7 t -61.76 -63.9 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.968 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -33.34 -75.39 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.56 0.538 . . . . 0.0 111.105 -179.482 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 19.8 tt -49.79 -47.74 22.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.521 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.476 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 58.2 t30 -65.75 -13.69 59.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.248 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' A' ' 108' ' ' VAL . 14.1 tp -84.08 -123.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.336 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -129.27 40.25 1.72 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -161.3 122.2 2.79 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -96.28 102.62 14.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.454 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.6 mt -106.51 129.3 54.49 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.178 0.513 . . . . 0.0 110.441 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.0 p -66.03 174.13 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.347 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.54 -33.25 75.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.48 -46.93 68.39 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.657 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.8 -43.88 97.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.103 0.478 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.29 -45.4 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.159 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 126' ' ' LYS . 37.3 tp10 -62.83 -23.11 67.12 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.203 0.525 . . . . 0.0 110.086 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -74.45 -57.21 4.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.457 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 19.9 ttp -55.92 -48.81 75.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.297 -178.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 126' ' ' LYS . 9.7 tp -60.23 -41.54 87.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.117 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' A' ' 122' ' ' GLU . 24.1 mmtp -65.32 -40.28 93.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -72.0 -47.48 51.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.404 ' HB1' ' HE1' ' B' ' 23' ' ' TRP . . . -62.39 -36.08 81.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.468 ' OD2' ' OD1' ' A' ' 133' ' ' ASP . 52.8 t0 -75.9 104.3 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.507 ' CD1' ' HZ2' ' A' ' 143' ' ' LYS . 95.4 mt -72.79 -32.37 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.011 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 5.5 p30 -97.26 -0.86 45.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.691 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 50.8 32.79 26.48 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.468 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 36.6 p-10 -70.84 -13.44 62.04 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.526 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.74 -1.26 52.38 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -152.72 132.73 13.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.2 t -79.92 126.69 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.158 0.504 . . . . 0.0 110.413 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.59 HD21 ' N ' ' A' ' 137' ' ' ASN . 0.8 OUTLIER -88.82 155.09 19.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.387 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -50.96 -41.5 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.231 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.04 -48.61 79.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.929 0.395 . . . . 0.0 110.328 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.78 -37.45 87.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.063 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.87 -48.14 82.91 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.103 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.35 -47.19 88.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.004 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.507 ' HZ2' ' CD1' ' A' ' 130' ' ' LEU . 7.8 mtpm? -64.42 -30.68 71.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.273 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 144' ' ' MET . 1.4 tmt? -71.9 -26.81 62.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.483 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 146' ' ' MET . 0.7 OUTLIER -87.37 -19.67 27.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.641 -179.459 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 145' ' ' MET . 14.4 mtt . . . . . 0 CA--C 1.539 0.549 0 CA-C-O 121.402 0.62 . . . . 0.0 110.883 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -61.3 -42.53 98.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.468 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -63.59 -38.88 92.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.542 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -61.87 -46.02 91.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.457 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 5.0 m95 -64.47 -47.31 79.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.977 0.418 . . . . 0.0 109.92 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -64.31 -38.39 90.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.785 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.9 t -61.07 -44.8 96.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.134 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -59.34 -44.19 92.67 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.436 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.97 -44.33 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.726 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.3 m -66.16 -40.51 90.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.348 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.43 -41.95 93.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.05 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 42.4 t -60.06 -46.62 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.713 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.71 -27.18 63.78 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.818 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . 0.495 ' ND2' ' CZ ' ' A' ' 12' ' ' PHE . 1.8 t-20 -80.34 -33.03 37.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.392 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.469 ' NH1' ' C ' ' A' ' 112' ' ' LEU . 76.9 mtp180 -85.13 -49.63 8.09 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.23 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.446 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 36.2 56.46 1.04 Allowed 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 120.81 0.338 . . . . 0.0 110.8 -179.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -53.09 -12.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.25 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.446 ' H ' ' C ' ' B' ' 34' ' ' ALA . 90.4 mtm-85 -108.9 -7.79 15.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.72 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.464 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 64.35 51.23 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.259 179.567 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -39.06 -33.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' MET . . . . . 0.478 ' O ' ' N ' ' B' ' 43' ' ' LEU . 5.1 ttp -72.36 -64.68 0.9 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.46 -42.72 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.372 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -56.99 -43.21 81.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.235 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.481 ' O ' ' C ' ' B' ' 43' ' ' LEU . 29.5 m120 -93.77 -4.12 50.87 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.752 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.594 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.308 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 7' ' ' GLU . 2.6 m . . . . . 0 C--O 1.232 0.149 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -41.3 -25.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.788 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 8' ' ' GLN . 11.6 pt-20 -62.2 -49.84 74.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.407 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.531 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 15.4 mm100 -51.12 -52.83 39.98 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -59.36 -42.62 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.448 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.2 t -59.33 -50.65 79.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.098 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -53.89 -48.31 70.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -65.95 -43.32 88.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -56.71 -43.07 80.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.652 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.89 -50.45 68.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.683 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.38 -42.57 67.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.14 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -59.15 -47.09 86.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.216 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.98 -39.39 56.89 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.74 -43.03 94.69 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -68.79 -43.07 76.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.373 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 40.2 t0 -88.08 75.92 8.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.751 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.51 -42.27 82.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.917 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' GLY . 48.2 p-10 -90.59 36.73 0.9 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.783 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.26 65.49 0.01 OUTLIER Glycine 0 C--N 1.345 1.034 0 O-C-N 124.277 0.985 . . . . 0.0 112.174 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 52.6 p-10 -93.99 -21.8 18.95 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 114.64 -27.47 8.78 Favored Glycine 0 N--CA 1.467 0.718 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.6 m -136.92 131.57 33.25 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.3 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.1 mt -75.45 133.44 31.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -99.59 152.99 19.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.7 t -49.86 -44.68 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.971 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -60.12 -55.19 36.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.283 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -51.87 -40.87 61.32 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -41.4 98.86 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.497 0.665 . . . . 0.0 110.169 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.0 96.28 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.079 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.2 m -57.61 -44.47 85.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.013 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.55 -47.02 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.513 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.405 HD11 HG23 ' A' ' 36' ' ' ILE . 72.6 mt -64.65 -44.4 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -62.14 -39.27 92.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.659 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.575 ' C ' ' H ' ' A' ' 40' ' ' ASP . 53.0 p -69.17 -29.43 67.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.427 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.62 18.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.77 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.575 ' H ' ' C ' ' A' ' 38' ' ' SER . 3.9 m-20 70.11 62.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.988 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -165.86 162.12 18.16 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.746 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -144.71 62.97 10.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.826 0.346 . . . . 0.0 110.397 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -75.54 157.46 40.52 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 123.065 2.51 . . . . 0.0 111.934 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 47' ' ' GLU . 15.0 t -69.63 138.89 53.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.744 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' A' ' 48' ' ' LEU . 72.1 tt0 -56.39 -44.06 79.86 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.429 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -39.75 -45.22 1.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.799 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' H ' HG22 ' A' ' 44' ' ' THR . 96.1 mt-10 -68.42 -31.41 70.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.739 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 45' ' ' GLU . 48.6 mt -76.32 -46.13 29.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -64.68 -37.27 87.0 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.787 0.327 . . . . 0.0 110.72 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 54' ' ' GLU . 30.3 t70 -70.33 -52.24 24.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.2 ttp -57.56 -41.45 81.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.868 0.366 . . . . 0.0 110.695 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.0 mm -64.0 -41.89 93.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.3 m -87.38 -13.07 44.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.402 0.439 . . . . 0.0 110.764 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' ASP . 84.5 tt0 -57.91 -43.35 86.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.693 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.1 t -95.23 -38.39 8.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 20.6 t70 -39.58 106.34 0.05 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.207 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.17 6.31 33.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.726 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.9 p30 -129.14 14.22 6.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.181 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.489 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 32.74 40.38 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.519 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 12.1 m120 -78.99 -33.63 44.86 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.83 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.03 -5.91 58.07 Favored Glycine 0 N--CA 1.468 0.813 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.6 p -137.22 138.26 39.96 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.655 0.264 . . . . 0.0 110.357 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.2 mt -87.3 124.28 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.748 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -85.62 162.27 18.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.096 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -49.74 -48.06 50.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.434 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.36 -38.34 83.54 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.895 0.378 . . . . 0.0 110.212 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' OE2' ' OD2' ' A' ' 58' ' ' ASP . 96.8 mt-10 -72.46 -46.59 54.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -57.87 -44.74 86.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.933 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 tt -58.21 -54.65 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.173 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -59.0 -41.64 88.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.186 0.517 . . . . 0.0 110.318 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.24 -58.34 6.43 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.318 -178.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -41.52 70.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.728 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.41 78.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.867 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -70.8 -60.07 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.305 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -76.4 111.02 11.41 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 78' ' ' ASP . 23.8 t -155.91 -67.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.846 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' VAL . 65.1 tttm 33.45 -90.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.735 0.647 . . . . 0.0 110.99 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 80' ' ' ASP . 20.0 t0 -163.58 -19.13 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.523 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.517 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 4.7 p 63.12 -66.48 0.09 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.266 0.354 . . . . 0.0 110.595 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 78' ' ' ASP . 51.3 m-20 -162.17 142.37 10.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.669 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.66 -57.55 9.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -51.85 -20.91 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.05 0.452 . . . . 0.0 111.035 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.44 ' OE1' ' OG1' ' A' ' 79' ' ' THR . 84.3 tt0 -81.97 -54.2 5.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.39 -38.28 81.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.021 0.439 . . . . 0.0 110.646 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.82 -36.69 80.82 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.181 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -83.06 -45.21 14.29 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.302 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -59.79 -39.83 86.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.204 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -58.85 4.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 33.2 t80 -54.97 -38.88 68.36 Favored 'General case' 0 CA--C 1.527 0.096 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.57 ' HZ3' HE22 ' A' ' 96' ' ' GLN . 28.9 tptt -60.88 -39.05 87.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.255 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.2 t -74.01 -53.52 17.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.522 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -60.19 -48.5 81.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.927 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 96' ' ' GLN . 7.7 t0 -79.34 56.11 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -39.97 -60.65 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.613 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 6.3 p-10 -66.47 -6.59 15.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.091 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.57 HE22 ' HZ3' ' A' ' 90' ' ' LYS . 38.1 mt-30 46.12 57.96 4.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.475 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -96.64 -1.75 46.11 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.412 ' O ' ' OD1' ' A' ' 137' ' ' ASN . . . 91.63 3.23 69.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -144.06 148.63 35.43 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 122.681 -0.305 . . . . 0.0 110.392 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.3 mt -97.81 116.75 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 m -88.56 147.56 24.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.327 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.01 -45.42 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.9 t -59.9 -41.71 92.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.993 0.425 . . . . 0.0 110.547 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.42 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 83.5 mt-10 -63.72 -53.94 43.21 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.105 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.1 tp -67.6 -22.83 65.34 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.764 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -83.38 -39.98 19.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.63 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.689 ' CE1' HD22 ' A' ' 111' ' ' ASN . 84.4 t60 -59.01 -47.07 86.54 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 109' ' ' MET . 61.7 t -63.43 -61.91 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.13 0 N-CA-C 109.128 -0.694 . . . . 0.0 109.128 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.9 OUTLIER -32.17 -74.92 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.388 0.43 . . . . 0.0 110.746 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 15.1 tt -47.23 -49.35 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.713 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.689 HD22 ' CE1' ' A' ' 107' ' ' HIS . 93.9 m-20 -57.88 -10.39 1.72 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.323 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 109' ' ' MET . 5.6 mp -110.37 6.99 22.73 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.733 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.63 68.33 1.34 Allowed Glycine 0 CA--C 1.52 0.357 0 N-CA-C 111.324 -0.711 . . . . 0.0 111.324 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.447 ' CD ' ' SD ' ' A' ' 109' ' ' MET . 1.7 mt-10 -167.81 107.85 0.56 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.768 0.318 . . . . 0.0 110.398 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -101.58 100.55 10.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.971 0.415 . . . . 0.0 110.634 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 116' ' ' LEU . 10.4 mp -94.37 135.56 35.65 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.8 p -76.38 165.29 25.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.463 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -46.8 -53.51 11.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.637 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -58.81 -41.42 86.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.836 0.351 . . . . 0.0 110.443 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -65.46 -40.05 92.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.708 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.07 -42.46 93.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.07 0.462 . . . . 0.0 110.087 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 82.3 tt0 -61.94 -60.7 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.423 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.67 -28.02 68.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.402 0.62 . . . . 0.0 110.528 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.4 tpt -60.73 -52.51 64.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.995 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.5 tt -91.27 -34.22 6.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.177 0.513 . . . . 0.0 111.274 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 87.6 tttt -63.1 -22.9 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.029 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -72.3 -52.73 14.95 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.308 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.05 -37.26 74.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.179 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.452 ' OD1' ' OE1' ' A' ' 140' ' ' GLU . 11.5 m-20 -81.83 104.24 12.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 10.3 mp -64.62 -41.72 96.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.153 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -89.54 -3.64 58.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.366 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . 78.43 -144.31 28.0 Favored Glycine 0 CA--C 1.495 -1.206 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 132' ' ' GLY . 13.0 m-20 94.8 1.88 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 O-C-N 125.013 1.067 . . . . 0.0 111.045 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.57 16.49 29.71 Favored Glycine 0 C--N 1.331 0.283 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.41 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 23.4 mt-30 -143.59 137.53 28.43 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.094 0.473 . . . . 0.0 110.511 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.6 t -109.64 122.04 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.643 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 98' ' ' GLY . 58.9 t30 -84.57 157.54 21.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.533 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -48.49 -45.41 36.86 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.322 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.98 -45.63 94.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.139 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.452 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 96.1 mt-10 -64.18 -38.2 90.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.164 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -62.43 -48.05 81.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 146' ' ' MET . 53.8 t -58.41 -46.05 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.362 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.26 -36.47 82.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.815 0.341 . . . . 0.0 111.026 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.48 ' SD ' ' O ' ' A' ' 144' ' ' MET . 6.5 tpt -68.91 -38.12 79.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.239 0.542 . . . . 0.0 111.266 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 146' ' ' MET . 94.2 mmm -88.1 -27.11 22.14 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.096 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 142' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.501 0 O-C-N 124.171 0.919 . . . . 0.0 111.259 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -63.7 -40.6 97.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -68.59 -38.63 80.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.474 -179.787 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.52 ' N ' ' OE1' ' B' ' 21' ' ' GLN . 15.7 tpp180 -61.06 -44.24 97.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.383 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -49.02 76.85 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.139 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -65.94 -38.25 88.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.778 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 68.6 m -59.46 -43.05 93.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.822 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.1 p -61.19 -48.16 82.82 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.465 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.8 -37.28 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.042 0.449 . . . . 0.0 110.244 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 39.5 t -63.56 -42.78 98.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.153 0.501 . . . . 0.0 110.345 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.69 -27.39 35.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.487 -0.485 . . . . 0.0 109.868 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.26 -44.3 80.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.513 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' B' ' 28' ' ' SER . 27.0 pttt -63.22 -36.93 85.28 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.1 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -77.67 -33.68 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.846 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' B' ' 34' ' ' ALA . 72.7 ttt-85 -72.19 -46.66 55.38 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.846 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 23.81 79.81 0.02 OUTLIER 'General case' 0 C--N 1.347 0.476 0 O-C-N 123.996 0.81 . . . . 0.0 111.291 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -77.45 -10.94 59.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.052 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.487 ' O ' ' OG ' ' B' ' 41' ' ' SER . 22.5 mtp180 -107.53 -1.36 21.4 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.454 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.2 OUTLIER 59.96 67.35 0.87 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.226 0.536 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -55.93 -36.14 67.41 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.434 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 63.1 mmm -66.45 -62.28 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.406 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 81.3 mt -62.82 -43.63 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.785 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' B' ' 36' ' ' ARG . 69.9 m -55.18 -43.76 74.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.24 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -64.15 -40.31 95.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.351 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.406 ' OXT' ' O ' ' B' ' 40' ' ' ILE . 44.3 mt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.248 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.778 0.323 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.31 -37.08 74.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.445 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -50.7 -60.5 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.441 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 83.2 mm-40 -46.07 -36.2 5.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.042 0.448 . . . . 0.0 110.559 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.9 mt -77.75 -33.27 18.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.537 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -65.08 -50.63 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.369 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -66.58 -42.0 87.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 110.05 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -63.03 -42.27 99.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.574 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -64.65 -33.8 76.78 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.259 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.24 -47.21 85.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.8 -36.79 84.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.142 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.51 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 35.9 t80 -59.87 -49.53 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.88 -33.12 82.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt -65.62 -49.19 69.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.941 0.4 . . . . 0.0 110.879 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -65.07 -32.82 74.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.42 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.51 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 58.6 m-20 -94.09 86.43 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.58 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -67.12 -37.16 83.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.785 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.2 OUTLIER -103.01 28.31 6.35 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.118 -178.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 25.95 51.88 0.06 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.619 ' C ' ' H ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -78.68 36.49 0.26 Allowed 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.401 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 23' ' ' GLY . . . 57.98 -6.28 0.04 OUTLIER Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.619 ' H ' ' C ' ' A' ' 24' ' ' ASP . 2.6 p -166.26 173.74 9.83 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.9 mt -103.86 116.2 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.896 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -89.22 154.75 19.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.674 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.8 t -45.69 -47.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.403 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.32 -53.82 53.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.757 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 95.0 mt-10 -50.6 -46.1 57.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.044 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.01 -42.47 99.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.55 -50.84 70.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.651 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -56.69 -47.37 80.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.442 ' O ' ' OG ' ' A' ' 38' ' ' SER . 71.8 t -61.33 -43.4 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.623 ' O ' ' N ' ' A' ' 40' ' ' ASP . 74.7 mt -60.88 -42.12 91.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.106 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.574 ' O ' ' O ' ' A' ' 40' ' ' ASP . 61.4 ttp180 -59.96 -34.53 73.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.146 0.498 . . . . 0.0 109.936 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 35' ' ' VAL . 75.1 p -72.93 -43.34 62.48 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.094 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tt -93.73 4.04 54.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.431 0.634 . . . . 0.0 110.686 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.623 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.9 t70 -159.17 170.31 22.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.216 0.531 . . . . 0.0 110.594 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.82 -90.23 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.101 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -174.55 100.13 0.28 Allowed Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.317 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -78.99 -155.43 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.771 2.314 . . . . 0.0 111.275 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.424 HG23 ' H ' ' A' ' 47' ' ' GLU . 1.8 m -108.31 149.48 28.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.64 -44.02 97.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.98 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.91 -31.83 73.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.83 0.348 . . . . 0.0 110.655 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' H ' HG23 ' A' ' 44' ' ' THR . 84.7 tt0 -62.42 -37.16 84.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.318 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.0 mt -74.45 -57.79 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.625 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -51.87 -26.72 10.69 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.06 0.457 . . . . 0.0 110.691 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -79.18 -46.89 17.02 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.11 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.478 ' SD ' ' OXT' ' B' ' 43' ' ' LEU . 9.3 ttt -66.02 -21.91 66.42 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.313 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.531 ' C ' ' H ' ' A' ' 54' ' ' GLU . 5.1 mm -76.77 -72.01 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.9 t -48.95 -10.05 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.83 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' A' ' 52' ' ' ILE . 42.9 tt0 -69.63 -38.78 77.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.006 0.431 . . . . 0.0 110.92 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.8 p -117.12 -11.22 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.059 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 67.0 t0 -93.72 101.03 13.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.358 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.525 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -43.8 -71.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.118 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.562 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.5 p30 -69.97 12.86 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.353 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 1.91 68.79 0.0 OUTLIER Glycine 0 N--CA 1.473 1.136 0 O-C-N 124.079 0.862 . . . . 0.0 111.929 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.531 HD22 ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -98.15 22.63 9.23 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.216 -0.492 . . . . 0.0 110.149 -179.38 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.68 13.36 58.77 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.467 ' OG1' ' OD1' ' A' ' 60' ' ' ASN . 15.2 p -138.61 155.26 48.47 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.563 -0.374 . . . . 0.0 110.469 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.3 mt -126.53 132.62 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.741 0.305 . . . . 0.0 110.218 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' A' ' 67' ' ' GLU . 12.3 pt-20 -108.88 169.69 8.52 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.366 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -53.57 -42.66 67.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.494 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.5 -38.23 86.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.056 0.455 . . . . 0.0 110.328 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 96.6 mt-10 -76.54 -40.21 50.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.702 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -61.57 -44.87 96.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.925 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.46 -46.43 88.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.927 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.7 m -61.39 -41.64 97.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.3 -50.66 73.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 75' ' ' LYS . 38.4 mmt -71.74 -38.51 70.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.75 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.89 -33.77 51.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.433 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -73.59 -45.47 52.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.741 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 72' ' ' MET . 62.0 mttp -79.64 141.99 35.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.177 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 77' ' ' LYS . 46.9 t 68.5 118.09 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 O-C-N 124.191 0.932 . . . . 0.0 110.139 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 32.2 ttpt 162.4 -75.77 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.009 0.818 . . . . 0.0 110.474 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 78' ' ' ASP . 66.7 t0 -116.0 42.19 2.41 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.108 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -62.27 -84.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.502 ' N ' ' OG1' ' A' ' 79' ' ' THR . 0.1 OUTLIER 179.8 153.09 0.47 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 121.018 0.437 . . . . 0.0 110.177 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.14 -54.64 16.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.844 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -58.23 -23.73 56.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.141 0.496 . . . . 0.0 110.894 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.446 ' OE1' ' OG1' ' A' ' 79' ' ' THR . 83.2 mt-10 -76.76 -54.63 6.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.13 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.453 ' CG ' ' HZ3' ' B' ' 31' ' ' LYS . 79.6 tt0 -71.86 -32.24 67.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.945 0.403 . . . . 0.0 110.59 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.7 mt -66.38 -38.07 86.69 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.11 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -85.37 -42.07 14.89 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.268 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -58.75 -39.16 80.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.819 0.342 . . . . 0.0 110.195 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -57.23 7.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 36.6 t80 -51.65 -29.25 17.13 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.408 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -71.13 -36.71 72.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.9 t -76.06 -51.85 19.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.836 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -63.88 -46.77 83.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.537 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.469 ' OD1' ' OD1' ' A' ' 97' ' ' ASN . 21.5 t0 -89.28 66.35 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -44.79 -55.58 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.305 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -75.27 0.91 15.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.942 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 42.49 27.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.469 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 27.6 p-10 -63.36 -10.35 16.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.658 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.18 -15.87 50.36 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -129.88 133.39 46.86 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.5 mt -84.37 115.62 26.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.8 p -83.07 150.59 26.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.533 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.96 -44.58 70.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.607 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.6 p -55.04 -41.02 70.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.614 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.71 -45.7 81.76 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.251 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.3 tp -68.37 -31.36 70.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.345 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -61.25 -44.75 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' C ' ' H ' ' A' ' 109' ' ' MET . 62.9 m170 -68.0 -55.2 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.268 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.5 t -49.49 -18.73 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.364 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.4 ' H ' ' C ' ' A' ' 107' ' ' HIS . 3.2 tpt -87.5 -76.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.692 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.3 tt -48.27 -34.96 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.461 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -51.03 -25.33 4.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.126 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 mt -89.6 1.19 56.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.14 -9.96 69.88 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 14.0 mp0 -82.39 106.53 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.813 0.339 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -89.43 104.25 16.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.82 0.343 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.82 128.55 53.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.351 0.596 . . . . 0.0 110.621 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 p -65.03 172.38 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.02 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.54 -31.29 72.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -67.43 -46.41 73.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -64.82 -40.6 95.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.678 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.19 -44.38 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.208 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.85 -31.33 72.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.041 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -68.28 -57.56 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.822 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.9 ttt -51.02 -57.94 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 111.065 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 129' ' ' ASP . 9.6 tp -53.17 -36.94 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.47 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.57 -38.28 83.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -79.24 -16.82 55.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.629 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -101.96 -28.28 12.48 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.358 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 66.5 t0 -82.61 105.83 13.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.111 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.98 -42.83 94.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.971 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.458 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 5.4 m-20 -83.17 0.95 42.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.395 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 48.57 32.57 10.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.544 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 20.0 p-10 -92.34 15.05 14.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.725 0.298 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 68.38 23.9 75.02 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -150.85 159.28 44.65 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.309 0.576 . . . . 0.0 110.392 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.7 t -129.27 126.93 64.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.279 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -92.32 162.0 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.439 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -52.17 -41.83 62.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.023 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.96 -49.53 77.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.35 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.458 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 94.4 mt-10 -62.05 -39.95 94.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.322 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.57 -46.68 88.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.297 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.59 -47.22 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.028 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -61.36 -35.26 76.96 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.3 mmm -66.43 -23.88 66.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.609 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.3 tpt -90.54 -21.14 21.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.4 ptm . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 110.398 -179.768 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -57.99 -35.7 71.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.405 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -64.22 -43.7 94.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.303 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -60.49 -38.89 85.78 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.397 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.629 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.4 m95 -62.32 -49.95 73.56 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.646 -0.422 . . . . 0.0 109.958 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -68.49 -37.29 79.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.843 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 6.7 t -63.15 -43.17 99.06 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.037 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -60.1 -45.15 93.94 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.101 -0.639 . . . . 0.0 110.507 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.6 t -69.25 -44.51 80.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.782 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m -68.34 -42.84 78.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.398 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' B' ' 33' ' ' ARG . 71.9 mt -62.25 -42.12 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.78 -44.87 94.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.379 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.453 ' HZ3' ' CG ' ' A' ' 84' ' ' GLU . 55.7 mtpt -82.63 -17.11 45.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.925 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -99.66 -11.4 20.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.177 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' B' ' 35' ' ' ARG . 60.4 ttt85 -104.94 -44.86 4.7 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.479 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.588 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 54.1 -75.59 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.119 0 O-C-N 123.291 0.369 . . . . 0.0 110.721 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' B' ' 33' ' ' ARG . 67.3 ttt180 68.72 -37.54 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.391 0.432 . . . . 0.0 110.392 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.588 ' H ' ' C ' ' B' ' 34' ' ' ALA . 83.9 mtp180 -92.8 -7.81 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.481 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.6 m-85 68.44 54.69 0.53 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 110.533 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -50.6 -32.5 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.905 0.383 . . . . 0.0 110.01 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' MET . . . . . 0.444 ' N ' ' SD ' ' B' ' 39' ' ' MET . 2.4 mpt? -66.13 -67.92 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.852 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.14 -42.67 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.369 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.494 ' OG ' ' O ' ' B' ' 36' ' ' ARG . 49.3 m -53.61 -46.74 70.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -65.03 -40.85 95.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.575 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.478 ' OXT' ' SD ' ' A' ' 51' ' ' MET . 51.2 mt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.366 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.583 0.23 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -51.38 -41.5 60.72 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.952 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.7 mp0 -62.59 -52.25 64.14 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -49.63 -48.1 49.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mm -62.58 -43.31 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.16 -51.29 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.349 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -57.07 -51.98 67.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -60.69 -42.77 97.8 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.045 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -61.15 -36.28 79.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.257 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.531 ' OE2' ' NH2' ' B' ' 35' ' ' ARG . 72.6 tt0 -63.28 -50.63 69.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.016 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.19 -38.15 68.0 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.999 0.428 . . . . 0.0 109.998 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 38.1 t80 -61.29 -46.58 89.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.034 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.62 -37.86 78.49 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.12 -51.99 65.68 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.776 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.438 ' CZ ' ' CD1' ' B' ' 37' ' ' PHE . 25.1 m-85 -53.15 -33.1 51.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.577 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 81.7 m-20 -99.59 76.51 2.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.595 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -51.69 -26.19 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.131 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 23' ' ' GLY . 45.3 p30 -107.99 36.74 2.67 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.679 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.87 63.5 0.01 OUTLIER Glycine 0 N--CA 1.471 0.97 0 O-C-N 123.832 0.708 . . . . 0.0 112.166 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 47.3 p-10 -86.44 -26.73 24.55 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 111.79 9.7 20.33 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.466 ' SG ' ' OD2' ' A' ' 24' ' ' ASP . 30.1 p -160.57 163.93 32.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.824 0.345 . . . . 0.0 110.361 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.1 mt -117.06 123.15 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.014 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 m -106.25 152.47 23.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.826 0.346 . . . . 0.0 110.802 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.1 t -48.91 -40.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.373 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.77 -54.59 40.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.336 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -60.54 -45.11 95.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.055 0.455 . . . . 0.0 110.25 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 tp -65.07 -38.53 91.06 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.407 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.39 92.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.928 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -58.01 -43.52 86.74 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.01 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -64.74 -45.44 95.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.333 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.73 -44.56 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.642 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -62.86 -36.48 83.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.472 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.3 m -84.77 18.65 2.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.179 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -114.62 17.65 17.12 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.333 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 12.0 t0 87.8 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.215 0.947 . . . . 0.0 110.496 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -86.9 146.14 26.29 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.953 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.441 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.1 OUTLIER -141.22 67.63 26.33 Favored Pre-proline 0 N--CA 1.466 0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.188 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.03 154.16 42.15 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.679 2.252 . . . . 0.0 112.166 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 t -58.79 149.35 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.682 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -67.03 -30.21 70.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.545 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -55.62 -46.0 77.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.356 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -58.96 -59.16 5.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.312 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.9 mt -48.81 -43.47 38.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.04 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -60.41 -46.61 89.4 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.768 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.65 -48.69 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 29.7 ttp -63.21 -45.32 92.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.1 mm -65.95 -41.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.273 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.7 p -71.64 -35.57 70.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.48 -38.16 68.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.4 t -87.35 -51.13 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -57.29 94.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.733 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.633 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.99 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.528 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 59' ' ' GLY . 33.6 p-10 -62.35 11.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.667 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.633 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 32.0 64.16 0.24 Allowed Glycine 0 C--N 1.338 0.657 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 62' ' ' THR . 33.6 p30 -101.39 29.19 4.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.762 0.315 . . . . 0.0 110.158 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 44.09 17.07 0.06 OUTLIER Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.716 -0.953 . . . . 0.0 110.716 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 60' ' ' ASN . 17.7 p -139.5 140.98 37.36 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.1 0.476 . . . . 0.0 110.573 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.56 128.26 62.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -90.32 161.65 15.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.314 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -48.47 -48.3 37.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.342 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.54 -39.13 79.32 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -74.06 -39.96 63.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.1 -46.77 87.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.556 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.78 -48.69 79.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.217 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.0 p -64.1 -43.02 96.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.577 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.2 -48.33 80.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.8 tpt -71.8 -37.63 70.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.49 69.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.867 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -60.55 -64.67 0.87 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.477 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.583 ' O ' ' C ' ' A' ' 76' ' ' VAL . 28.3 tptp -44.87 -84.54 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.583 ' C ' ' O ' ' A' ' 75' ' ' LYS . 61.1 t -11.21 117.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 123.917 0.761 . . . . 0.0 110.903 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -173.98 -106.7 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.211 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 78' ' ' ASP . 65.9 t0 -175.37 35.79 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.853 0.359 . . . . 0.0 110.199 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.0 p -63.43 -65.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.18 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.87 116.14 28.58 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.119 0.485 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.99 -52.99 9.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.428 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -55.1 -14.67 1.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -84.71 -58.61 2.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -66.03 -34.27 77.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.324 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tp -71.88 -35.95 69.92 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.05 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -83.71 -46.11 12.64 Favored 'General case' 0 C--N 1.338 0.068 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -58.67 -41.68 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.898 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.42 -57.77 9.21 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.875 0.369 . . . . 0.0 110.169 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.02 -38.49 73.21 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.243 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.94 -37.78 80.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.28 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.7 t -76.58 -48.82 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 110.693 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -58.88 -47.63 84.27 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.098 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 96' ' ' GLN . 38.9 t0 -88.74 61.37 5.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.274 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -38.52 -59.56 0.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.784 0.326 . . . . 0.0 111.407 -178.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 56.1 p30 -62.72 -10.72 13.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.571 ' N ' ' O ' ' A' ' 93' ' ' ASP . 52.1 mt-30 43.77 67.03 0.71 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.424 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -108.23 0.67 21.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.465 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.83 -1.2 63.27 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -140.05 145.19 37.4 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.516 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.7 mt -96.43 116.09 37.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 120.883 0.373 . . . . 0.0 110.209 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 m -85.75 147.13 26.47 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.187 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -43.83 68.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.783 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -60.26 -43.85 95.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.717 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 92.6 mt-10 -65.24 -51.05 63.33 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.16 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.82 -22.91 65.99 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.79 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -82.53 -41.39 19.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -56.85 -50.72 71.57 Favored 'General case' 0 CA--C 1.52 -0.178 0 O-C-N 123.765 0.666 . . . . 0.0 109.559 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.507 ' O ' ' C ' ' A' ' 109' ' ' MET . 46.0 t -62.53 -64.24 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.828 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.507 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.1 tpt -30.41 -74.34 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.977 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.544 ' C ' ' H ' ' A' ' 112' ' ' LEU . 7.1 tp -47.18 -50.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.657 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.458 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 21.4 t-20 -51.25 -9.3 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.392 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.591 ' CD2' ' HE ' ' B' ' 33' ' ' ARG . 85.3 mt -110.27 81.98 1.52 Allowed 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.712 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 12.72 61.69 0.01 OUTLIER Glycine 0 N--CA 1.471 1.025 0 O-C-N 123.689 0.618 . . . . 0.0 112.084 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 112' ' ' LEU . 60.0 mt-10 -144.78 120.81 10.72 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.044 0.45 . . . . 0.0 110.22 -178.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -100.63 88.46 3.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.291 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 65.8 mt -118.61 128.41 54.51 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.058 0.456 . . . . 0.0 110.908 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.7 p -68.18 167.78 13.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.414 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 122' ' ' GLU . 42.1 t0 -62.42 -27.41 69.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.303 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -65.24 -51.59 59.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.653 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -59.27 -42.62 91.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.978 0.418 . . . . 0.0 110.539 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.01 -46.48 88.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.147 0.499 . . . . 0.0 110.771 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.419 ' OE2' ' OD2' ' A' ' 118' ' ' ASP . 90.7 mt-10 -60.76 -23.71 65.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.758 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -75.51 -59.23 2.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.615 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.412 ' SD ' ' CG ' ' B' ' 22' ' ' ARG . 12.4 ttp -46.7 -51.78 15.32 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.274 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 126' ' ' LYS . 19.8 tt -61.05 -45.35 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.436 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 38.2 ttpt -61.84 -38.39 88.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.392 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -68.02 -47.12 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.474 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.31 -35.49 79.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.132 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 41.8 t0 -69.22 99.82 1.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.938 0.399 . . . . 0.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.0 mt -72.95 -42.32 63.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.271 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.517 ' O ' ' O ' ' A' ' 132' ' ' GLY . 19.5 p-10 -85.42 1.37 48.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.766 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 50.72 112.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 3.6 p30 -160.95 -20.9 0.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.526 -0.397 . . . . 0.0 110.465 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.8 6.42 49.51 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.52 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 8.3 mt-30 -147.24 156.27 42.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.922 0.391 . . . . 0.0 110.481 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.2 t -115.71 124.19 71.88 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.202 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.72 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -84.73 151.3 24.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.614 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -51.57 -42.3 61.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.303 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -62.45 -49.19 76.42 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.944 0.402 . . . . 0.0 110.002 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.28 -37.97 85.08 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 55.1 t80 -64.28 -47.53 79.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.04 0.448 . . . . 0.0 110.418 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.8 -45.55 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -61.0 -36.0 78.32 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.335 0.397 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.6 ttt -72.52 -33.08 66.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.606 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 6.2 mtp -75.48 -26.06 57.87 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.193 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 44.9 mmm . . . . . 0 C--O 1.22 -0.481 0 O-C-N 124.289 0.993 . . . . 0.0 111.202 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -63.99 -37.95 89.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.656 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.15 -43.57 91.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.454 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.412 ' CG ' ' SD ' ' A' ' 124' ' ' MET . 18.6 tpp85 -62.56 -43.18 99.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.079 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -58.34 -44.85 88.92 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -65.39 -37.23 86.35 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.903 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 40.6 m -58.9 -45.81 89.39 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.185 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.493 ' OG ' ' SD ' ' A' ' 109' ' ' MET . 14.8 m -61.74 -43.83 98.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.273 0.558 . . . . 0.0 110.354 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.64 -40.36 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.476 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 70.3 m -61.32 -42.63 98.99 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.72 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.401 ' CD1' ' OE2' ' A' ' 114' ' ' GLU . 96.4 mt -68.29 -28.74 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.437 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -67.92 -44.51 85.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.619 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -64.97 -36.54 84.73 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.831 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -71.5 -39.5 70.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.357 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.591 ' HE ' ' CD2' ' A' ' 112' ' ' LEU . 60.7 ttm-85 -64.16 -46.32 84.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.059 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.465 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 37.75 64.64 0.64 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.713 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.531 ' NH2' ' OE2' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -70.57 7.76 1.01 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.637 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.465 ' H ' ' C ' ' B' ' 34' ' ' ALA . 35.0 mmt180 -126.69 -1.06 6.74 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.489 0.493 . . . . 0.0 110.463 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.438 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 5.3 m-85 62.66 47.29 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.45 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.539 ' NH1' ' HZ1' ' A' ' 75' ' ' LYS . 9.5 ptm180 -41.16 -33.77 0.39 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.894 0.378 . . . . 0.0 110.701 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' MET . . . . . 0.511 ' SD ' ' N ' ' B' ' 40' ' ' ILE . 1.8 tmt? -66.99 -70.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.681 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.511 ' N ' ' SD ' ' B' ' 39' ' ' MET . 85.3 mt -62.06 -43.25 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.307 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.6 p -54.06 -45.41 71.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.168 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.19 -41.18 97.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.368 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.31 -179.483 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.774 0.321 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.52 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 43.5 mp0 -53.83 -24.72 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -61.23 -54.62 41.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 2.4 mp0 -49.81 -43.04 48.4 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.06 -43.27 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.518 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.36 -48.75 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.133 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.85 -47.44 86.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.039 0.447 . . . . 0.0 109.879 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -61.64 -44.99 95.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.281 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -64.79 -37.74 88.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.951 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -58.42 -51.38 70.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.87 89.56 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.471 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -61.84 -50.08 73.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.682 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.28 -32.51 81.0 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.92 -53.57 51.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.57 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.25 -27.63 62.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.217 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 37.6 t0 -101.12 88.33 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -66.3 -35.91 81.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.092 0.473 . . . . 0.0 110.392 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.58 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.1 p30 -95.73 31.41 2.07 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.797 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.26 65.42 0.01 OUTLIER Glycine 0 N--CA 1.468 0.773 0 O-C-N 123.442 0.464 . . . . 0.0 112.077 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 58.1 m-20 -91.53 -26.31 18.83 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.473 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 111.05 3.39 28.01 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 5.6 m -163.18 127.54 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 110.648 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.5 mt -76.82 123.56 33.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.893 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.0 m -98.26 152.81 19.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.61 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 t -47.64 -43.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.154 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -58.59 -60.93 3.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 69.4 mt-10 -53.66 -44.1 69.35 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.237 0.541 . . . . 0.0 109.737 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.38 -38.8 88.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.22 -48.18 81.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.178 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.2 m -56.82 -51.01 70.67 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.301 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.8 t -59.33 -43.91 91.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.271 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.406 HD12 HG22 ' A' ' 36' ' ' ILE . 72.5 mt -62.9 -43.15 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.691 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -54.11 -46.65 72.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.316 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.7 p -70.05 -39.72 75.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.175 0.512 . . . . 0.0 109.796 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 36.9 tp -72.57 -3.83 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.868 0.842 . . . . 0.0 110.191 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -159.37 -134.49 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.48 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -151.96 66.35 0.85 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 48.94 82.94 0.23 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.562 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.34 -94.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.714 2.276 . . . . 0.0 112.081 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.402 HG21 ' H ' ' A' ' 47' ' ' GLU . 8.6 t -156.13 137.03 13.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.145 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -68.72 -19.62 64.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -67.16 -63.2 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' H ' HG21 ' A' ' 44' ' ' THR . 80.8 mm-40 -55.62 -21.93 20.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -73.68 -62.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.795 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 53' ' ' SER . 87.7 mt-30 -66.44 -23.61 66.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.147 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -68.67 -53.03 24.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.162 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.7 mtm -62.63 -42.72 99.76 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.937 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.442 ' O ' ' CB ' ' A' ' 56' ' ' ASP . 68.6 mt -73.2 -25.67 21.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.777 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 5.4 t -69.76 -47.76 61.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.034 0.445 . . . . 0.0 111.042 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -53.37 -32.77 50.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.459 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 57' ' ' ALA . 65.0 t -96.64 -55.5 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.985 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.47 ' OD2' ' OD1' ' A' ' 60' ' ' ASN . 60.0 t0 -42.73 92.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.991 0.424 . . . . 0.0 110.48 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.629 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -47.48 -72.52 0.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.89 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.54 ' O ' ' C ' ' A' ' 59' ' ' GLY . 45.9 p-10 -65.51 19.56 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.047 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.629 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 20.48 58.62 0.01 OUTLIER Glycine 0 C--N 1.341 0.832 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.472 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 51.1 p-10 -90.45 -25.35 20.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.88 0.371 . . . . 0.0 110.173 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 102.81 14.26 27.52 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.472 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 7.6 p -140.14 150.07 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.473 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.5 mt -102.76 125.2 57.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.939 0.4 . . . . 0.0 110.682 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' GLU . 83.6 tt0 -101.59 158.13 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.191 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' GLU . 80.7 t80 -37.83 -57.64 0.99 Allowed 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 66.0 t0 -54.38 -35.86 63.27 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 120.956 0.407 . . . . 0.0 110.667 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' GLU . 71.6 mt-10 -75.87 -32.12 59.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.829 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.04 -44.12 81.03 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.24 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' ALA . 9.9 mp -62.35 -42.87 99.74 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.157 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.3 m -58.98 -43.33 91.38 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 121.499 0.666 . . . . 0.0 110.76 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.57 -47.04 85.59 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.248 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 8.8 mmt -77.74 -32.25 52.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.403 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -50.09 -33.96 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.968 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -81.36 -18.14 46.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 76' ' ' VAL . 64.8 tttm -71.02 129.19 38.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.235 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 75' ' ' LYS . 39.4 t 55.65 121.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.407 ' HG2' ' H ' ' A' ' 78' ' ' ASP . 43.8 tttt -129.71 -146.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' H ' ' HG2' ' A' ' 77' ' ' LYS . 99.6 m-20 -89.59 28.24 1.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.766 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.402 ' CG2' ' H ' ' A' ' 80' ' ' ASP . 0.6 OUTLIER -147.72 -144.16 0.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.702 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.402 ' H ' ' CG2' ' A' ' 79' ' ' THR . 93.9 m-20 54.51 54.57 9.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.61 -57.28 4.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.75 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.51 -19.36 64.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.97 0.414 . . . . 0.0 110.71 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.454 ' OE1' ' OE2' ' A' ' 87' ' ' GLU . 1.9 tm-20 -76.31 -48.36 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -80.42 -37.05 32.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.105 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.53 -33.9 76.98 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.235 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -83.28 -40.9 18.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.342 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.547 ' OE1' ' NH2' ' B' ' 38' ' ' ARG . 95.2 mt-10 -66.41 -39.11 88.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.3 -56.07 17.02 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.187 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 62.6 t80 -55.19 -41.77 72.37 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.983 0.42 . . . . 0.0 109.982 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.525 ' NZ ' ' NE2' ' A' ' 96' ' ' GLN . 63.6 tttp -59.15 -33.79 71.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.157 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.5 t -74.72 -60.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -51.48 -44.42 62.47 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.252 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' CZ ' ' A' ' 89' ' ' PHE . 21.3 m-20 -84.45 64.12 8.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.907 0.384 . . . . 0.0 110.87 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -41.93 -55.81 2.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.131 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 10.6 p30 -70.84 -3.69 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.188 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.525 ' NE2' ' NZ ' ' A' ' 90' ' ' LYS . 86.3 mt-30 44.12 44.25 6.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.639 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 50.4 p30 -82.44 -2.3 52.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.402 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.76 -3.42 74.31 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -137.57 143.86 41.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 0.0 110.542 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.5 mt -92.14 112.46 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.453 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 61.4 m -88.21 148.12 24.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.432 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.19 -45.15 53.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.402 ' HG ' ' CE1' ' A' ' 107' ' ' HIS . 11.7 t -60.16 -44.45 94.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.9 0.381 . . . . 0.0 110.704 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 60.9 mt-10 -61.74 -54.5 41.66 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.176 0.513 . . . . 0.0 110.682 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.1 tp -65.86 -22.25 66.52 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.861 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -77.97 -49.19 14.57 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.109 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.402 ' CE1' ' HG ' ' A' ' 103' ' ' SER . 24.0 m80 -53.78 -49.71 67.66 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -178.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 112' ' ' LEU . 46.1 t -60.71 -66.57 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.041 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.473 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -32.2 -73.86 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.255 0.347 . . . . 0.0 111.18 -178.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.468 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 21.1 tt -51.22 -45.31 31.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.488 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.468 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 57.6 t30 -70.58 -8.46 51.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.236 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -86.12 18.3 3.16 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.973 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.04 -73.03 0.53 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -53.83 134.87 42.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.348 . . . . 0.0 110.188 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -93.76 108.24 20.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.798 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.6 mp -116.51 133.59 55.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.611 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.8 p -72.83 174.43 7.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.563 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 -69.37 -26.01 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.607 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -67.87 -50.44 56.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.46 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.547 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 23.6 tp10 -60.49 -44.76 95.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.25 0.548 . . . . 0.0 110.409 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.74 -41.14 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.08 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.1 -28.92 70.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.88 0.372 . . . . 0.0 110.508 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -69.13 -53.24 21.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.412 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 11.9 ptm -57.86 -38.56 75.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.303 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 124' ' ' MET . 4.3 mm -64.04 -43.2 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.272 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -69.44 -36.62 76.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.842 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -78.66 -57.06 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.285 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.414 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -49.69 -37.0 27.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.208 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 25.1 t0 -91.5 109.24 20.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.842 0.353 . . . . 0.0 110.114 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.3 -46.05 91.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.928 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 4.2 p30 -75.46 -4.93 42.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.706 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 46.51 42.07 13.31 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 57.4 m-20 -79.94 20.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 64.7 5.03 16.04 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -148.38 156.94 43.13 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.028 0.442 . . . . 0.0 110.489 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.4 t -122.25 125.69 73.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.773 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.586 HD21 ' N ' ' A' ' 137' ' ' ASN . 0.9 OUTLIER -90.46 155.12 19.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.724 179.445 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -46.93 -42.92 18.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.387 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -61.77 -51.92 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.359 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 98.9 mt-10 -58.11 -40.67 81.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.253 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -61.66 -46.52 89.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.5 -45.88 93.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.467 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -64.36 -32.95 74.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.87 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 144' ' ' MET . 2.2 tmm? -76.52 -30.43 57.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.221 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.4 tpp -88.86 -27.61 20.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.545 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 16.1 mmt . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.884 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -65.43 -35.46 81.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.484 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.434 ' O ' ' OG ' ' B' ' 25' ' ' SER . 6.9 tp-100 -63.69 -47.89 79.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.361 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.547 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 41.2 ttm105 -60.14 -44.66 94.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.076 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.414 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 8.6 m95 -61.09 -49.0 79.08 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.308 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -65.96 -34.22 77.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.042 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 66.7 m -59.28 -48.61 80.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.8 m -61.94 -42.15 98.78 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.299 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t -68.21 -43.83 84.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 91.2 p -65.56 -44.56 86.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.073 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 33' ' ' ARG . 75.1 mt -63.17 -41.99 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 27.1 t -58.49 -45.38 90.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.209 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -64.44 -44.13 92.12 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.646 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -74.92 -27.62 60.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.25 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' B' ' 29' ' ' ILE . 66.1 ttp85 -66.75 -58.43 5.09 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.797 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.544 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 24.81 44.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.797 0.686 . . . . 0.0 111.366 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' B' ' 33' ' ' ARG . 54.8 ttp180 -59.64 -2.71 0.38 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.74 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.544 ' H ' ' C ' ' B' ' 34' ' ' ALA . 31.5 ptt180 -111.06 -5.2 14.83 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.417 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 2.2 m-85 65.95 47.21 2.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.604 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.547 ' NH2' ' OE1' ' A' ' 87' ' ' GLU . 13.7 ptm180 -43.86 -26.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.561 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 26.9 ttt -70.11 -64.2 0.93 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.398 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.84 -42.92 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.293 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' B' ' 42' ' ' ASN . 6.0 p -54.06 -53.05 58.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.139 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' B' ' 38' ' ' ARG . 80.0 m-20 -69.96 -39.4 76.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.965 0.412 . . . . 0.0 110.662 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.543 -179.242 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.476 ' OG ' ' OE1' ' A' ' 8' ' ' GLN . 72.8 p . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 120.84 0.352 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -50.26 -28.92 8.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.414 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -59.0 -28.44 66.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.013 0.435 . . . . 0.0 110.771 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.531 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 9.4 mp0 -78.99 -55.32 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.987 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.2 mm -61.62 -40.49 86.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.341 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.31 -50.7 79.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.227 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.479 ' O ' ' NH2' ' B' ' 33' ' ' ARG . 31.4 m-20 -54.34 -52.52 61.33 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.201 0.524 . . . . 0.0 110.523 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -63.49 -42.2 98.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.555 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -61.0 -42.48 98.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.203 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HB2' HH22 ' B' ' 33' ' ' ARG . 85.6 mt-10 -55.23 -52.35 63.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.129 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.39 -46.01 87.23 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.217 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.467 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 34.2 t80 -58.24 -48.77 79.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.128 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.05 -34.94 62.76 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.28 -52.47 63.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.009 0.433 . . . . 0.0 110.086 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.35 -32.86 51.17 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.16 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 98.4 m-20 -93.88 76.35 4.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.684 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -51.86 -32.98 34.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.365 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 23' ' ' GLY . 53.3 p30 -101.98 37.7 1.8 Allowed 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.964 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.97 66.73 0.01 OUTLIER Glycine 0 C--N 1.343 0.953 0 O-C-N 124.085 0.866 . . . . 0.0 111.581 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 42.4 p-10 -92.72 -26.12 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -178.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 108.67 14.26 16.25 Favored Glycine 0 N--CA 1.465 0.6 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 9.4 m -162.61 166.04 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.7 mt -114.7 118.9 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 m -101.44 150.63 22.84 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.974 0.416 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.9 t -48.71 -42.4 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.04 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -61.98 -53.19 59.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.488 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.433 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 68.8 mt-10 -58.39 -44.45 88.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.939 0.4 . . . . 0.0 110.028 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.9 -35.19 76.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.18 78.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 m -60.18 -48.74 80.45 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.719 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.1 t -60.48 -46.13 95.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.501 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' ASP . 76.6 mt -60.18 -43.14 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.485 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 40' ' ' ASP . 72.8 ttp85 -58.23 -33.17 69.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.068 0.461 . . . . 0.0 110.361 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -71.83 -41.25 68.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.872 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.05 4.06 51.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.312 0.577 . . . . 0.0 110.932 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 37' ' ' ARG . 32.8 t70 -170.31 176.99 4.29 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.412 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 77.5 mt-30 -65.62 -153.52 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.252 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -122.88 82.97 49.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.948 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -55.44 -169.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.826 2.351 . . . . 0.0 111.796 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.421 HG21 ' H ' ' A' ' 46' ' ' GLU . 54.8 m -92.37 136.52 33.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.069 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -53.03 -40.32 63.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' H ' HG21 ' A' ' 44' ' ' THR . 77.6 tt0 -49.14 -42.57 39.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.321 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.04 -34.0 77.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.959 0.409 . . . . 0.0 110.466 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.41 -45.47 46.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.024 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -69.48 -30.14 67.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.17 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' GLU . 28.5 t70 -70.02 -57.6 4.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.752 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -60.07 -40.86 90.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.46 . . . . 0.0 110.734 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.8 mm -65.43 -38.58 82.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.678 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.8 t -85.1 -19.98 31.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.724 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ASP . 42.4 tp10 -57.2 -44.9 84.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.594 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 57' ' ' ALA . 92.1 t -97.77 -52.05 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.727 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -47.84 89.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.575 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.635 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.19 -73.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.6 p30 -59.3 4.71 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.827 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.635 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 18.48 60.42 0.01 OUTLIER Glycine 0 C--N 1.346 1.136 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.3 p-10 -76.76 -13.96 59.98 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.541 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.99 -1.6 44.5 Favored Glycine 0 N--CA 1.463 0.454 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.4 p -141.5 149.2 40.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.659 0.266 . . . . 0.0 110.645 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.0 mt -100.24 123.68 53.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.015 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -87.45 160.48 18.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.161 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -45.27 -53.79 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -54.9 -38.97 68.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.934 0.397 . . . . 0.0 110.694 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.73 -38.32 67.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.942 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.11 -44.98 96.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.119 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 73' ' ' ALA . 3.8 mm? -62.13 -50.78 70.51 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.5 p -65.38 -43.99 88.99 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.957 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.11 -45.07 83.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.0 tpt -83.57 -51.59 7.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 69' ' ' LEU . . . -53.06 -33.89 54.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.872 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -72.18 -58.24 3.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.084 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -36.81 -68.4 0.14 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.474 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.5 t -83.83 75.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.028 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -94.24 -100.89 0.15 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.42 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 78' ' ' ASP . 59.5 t0 -111.33 21.58 16.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.891 0.377 . . . . 0.0 110.711 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.567 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 1.5 t -142.98 134.41 26.23 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-O 117.644 -1.17 . . . . 0.0 109.049 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.567 ' CG ' ' O ' ' A' ' 79' ' ' THR . 36.1 m-20 138.26 35.39 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 O-C-N 125.508 1.755 . . . . 0.0 110.665 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.61 -58.71 5.08 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.581 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.41 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 48.4 mp0 -61.23 -21.85 64.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.879 0.371 . . . . 0.0 110.461 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.25 -43.45 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 7.6 pt-20 -82.27 -35.56 27.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.258 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.98 -38.29 85.78 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.205 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -80.58 -43.73 20.13 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.231 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.547 ' OE1' ' NE ' ' B' ' 38' ' ' ARG . 58.8 mt-10 -66.81 -41.78 86.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.104 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -57.74 -51.76 68.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.667 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.3 -42.02 85.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.357 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -58.14 -37.34 74.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.6 t -77.21 -48.79 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.429 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.09 -49.97 75.55 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.068 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.614 ' O ' ' N ' ' A' ' 96' ' ' GLN . 55.9 t0 -89.56 57.23 3.86 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.342 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' ASP . 16.4 ttmm -37.23 -50.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.745 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.453 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.3 m-20 -63.8 -24.52 67.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.752 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 93' ' ' ASP . 76.7 mt-30 61.35 19.26 10.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -65.48 -0.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.604 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 91.51 4.93 67.51 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -141.16 146.35 36.89 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.75 0.31 . . . . 0.0 110.635 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.2 mt -98.3 111.29 27.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.3 p -81.57 151.84 27.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.592 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.84 74.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.62 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.0 p -60.5 -41.91 95.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 110.663 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.453 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 29.9 mt-10 -65.01 -49.91 68.35 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.122 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.7 tp -67.09 -23.14 65.82 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.115 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -83.75 -41.44 17.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.761 ' NE2' HD22 ' A' ' 111' ' ' ASN . 21.0 t-80 -57.82 -50.0 74.76 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.564 0.54 . . . . 0.0 109.711 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 109' ' ' MET . 46.0 t -61.9 -64.49 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.863 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' VAL . 5.8 tpt -32.85 -73.97 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.821 0.343 . . . . 0.0 111.262 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.472 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 17.4 tt -49.23 -48.07 18.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.132 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.761 HD22 ' NE2' ' A' ' 107' ' ' HIS . 89.8 m-20 -57.29 -14.44 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.274 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 114' ' ' GLU . 7.1 mp -107.83 82.76 1.69 Allowed 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.625 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 36.36 -83.71 0.0 OUTLIER Glycine 0 CA--C 1.521 0.456 0 O-C-N 123.747 0.654 . . . . 0.0 111.607 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 112' ' ' LEU . 52.4 tp10 -50.49 118.04 2.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.934 0.397 . . . . 0.0 110.453 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -112.03 136.7 51.05 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.549 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.5 mp -113.32 144.52 42.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.6 p -70.12 -178.52 1.66 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.36 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.18 -32.67 70.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -71.29 -42.33 68.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 0.0 110.732 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.88 -40.36 87.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.46 -60.35 2.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.762 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -56.09 -24.31 39.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.108 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -70.21 -65.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.932 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.624 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 6.3 ttp -47.16 -57.9 4.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.039 -178.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 16.3 tt -53.02 -39.43 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.85 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.54 -39.21 91.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.752 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -76.68 -58.4 3.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.23 -31.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.469 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 13.8 t0 -79.72 113.11 17.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.102 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.9 mt -74.45 -35.16 63.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.413 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.598 ' O ' ' O ' ' A' ' 132' ' ' GLY . 13.1 p-10 -94.97 0.57 54.78 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.785 -178.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.598 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 47.57 121.39 0.0 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.434 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 0.7 OUTLIER -168.46 -22.75 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 O-C-N 122.135 -0.626 . . . . 0.0 110.473 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.61 5.3 39.42 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.403 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 3.8 mt-30 -146.16 146.23 30.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.038 0.447 . . . . 0.0 110.221 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.3 t -112.89 128.22 69.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.927 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 49.9 t-20 -88.56 149.03 23.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.382 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 67.8 t80 -45.55 -40.89 9.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -59.57 -56.31 23.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.576 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -58.06 -40.57 81.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.041 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -58.92 -50.28 74.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.66 -46.81 90.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -58.4 -32.74 68.91 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.796 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.6 ttt -70.42 -40.31 73.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.902 0.382 . . . . 0.0 110.488 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.51 ' O ' ' O ' ' A' ' 146' ' ' MET . 10.2 mmt -62.35 -22.14 65.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.4 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.51 ' O ' ' O ' ' A' ' 145' ' ' MET . 91.8 mmm . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 121.241 0.543 . . . . 0.0 111.067 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -61.42 -45.71 93.15 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.419 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -61.05 -41.43 96.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.488 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -59.06 -40.99 86.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.169 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.624 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 2.2 m95 -59.07 -48.6 81.0 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.966 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -66.36 -33.87 76.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.787 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.0 m -59.61 -46.11 89.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 92.2 p -61.37 -44.07 97.79 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.292 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 99.8 t -67.77 -40.3 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 56.3 m -61.42 -41.99 98.03 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.749 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.09 -41.93 93.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -58.56 -42.55 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -58.4 -47.48 83.75 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.014 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' B' ' 32' ' ' ASN . 54.0 t-20 -71.96 -20.83 61.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.621 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.479 ' NH2' ' O ' ' A' ' 11' ' ' ASP . 3.2 tpm_? -78.88 -58.75 3.08 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.513 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 33.06 51.55 0.28 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.567 0.542 . . . . 0.0 111.0 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -55.03 -8.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.07 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.513 ' H ' ' C ' ' B' ' 34' ' ' ALA . 96.0 mtt180 -115.43 -6.73 12.3 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.635 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.46 ' O ' ' CB ' ' B' ' 41' ' ' SER . 1.1 m-85 63.86 73.81 0.43 Allowed 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 121.042 0.449 . . . . 0.0 110.171 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.547 ' NE ' ' OE1' ' A' ' 87' ' ' GLU . 44.1 mtp180 -54.91 -42.71 72.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.036 0.446 . . . . 0.0 110.696 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 35.0 mmt -64.36 -61.73 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.335 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.401 HD12 HG21 ' B' ' 40' ' ' ILE . 93.0 mt -62.57 -43.44 98.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.69 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' B' ' 42' ' ' ASN . 80.9 p -54.37 -43.58 71.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.466 ' N ' ' HG ' ' B' ' 41' ' ' SER . 97.1 m-20 -65.62 -41.46 92.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 62.6 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.392 -179.673 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.859 0.361 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -44.26 -29.3 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.38 -44.2 88.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.09 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -54.29 -53.43 53.85 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 1.5 mp -58.31 -41.93 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.82 -50.4 80.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.09 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -50.62 -53.29 31.96 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -63.44 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.268 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -58.31 -46.49 86.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.077 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.45 -51.57 68.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.584 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.7 -45.73 74.03 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.933 0.397 . . . . 0.0 110.409 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 2.4 t80 -61.57 -44.61 96.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.818 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.42 -39.74 60.18 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.02 -43.4 98.83 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.735 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -64.39 -41.03 96.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' ' 24' ' ' ASP . 36.6 t0 -94.2 75.08 4.0 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.361 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -58.45 -36.47 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.609 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.3 p30 -90.93 35.42 0.9 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.437 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.25 66.2 0.01 OUTLIER Glycine 0 CA--C 1.523 0.554 0 C-N-CA 121.372 -0.442 . . . . 0.0 112.712 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.501 ' H ' ' CG ' ' A' ' 20' ' ' ASP . 62.6 m-20 -92.92 -26.87 17.4 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.83 -26.95 8.57 Favored Glycine 0 N--CA 1.464 0.558 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -130.2 176.61 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.984 0.421 . . . . 0.0 110.198 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.442 HG22 HD12 ' A' ' 27' ' ' ILE . 83.7 mt -114.79 117.58 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.99 179.63 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -77.15 -49.13 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.399 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.04 -46.27 90.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.171 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.33 -45.68 84.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.397 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -59.86 -41.23 91.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.088 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.86 97.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.299 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -58.33 -51.44 69.77 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.308 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -59.43 -46.64 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.7 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.61 -42.86 93.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.573 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -54.43 -38.36 66.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 0.0 110.396 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 p -96.57 23.61 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -128.3 -5.56 5.42 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.992 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER 177.24 -71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.696 -179.103 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.455 ' HG2' ' H ' ' A' ' 42' ' ' ASN . 6.3 tt0 -158.7 -174.24 4.68 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.319 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.455 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 37.1 t-20 -113.61 90.06 17.09 Favored Pre-proline 0 C--O 1.231 0.113 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.78 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.15 161.06 32.74 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.999 2.466 . . . . 0.0 112.13 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 47' ' ' GLU . 10.2 t -58.28 133.95 56.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.604 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -53.37 -31.41 44.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.628 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -51.93 -44.71 64.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.498 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' H ' HG22 ' A' ' 44' ' ' THR . 81.1 tt0 -64.66 -32.86 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.301 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.3 mt -75.49 -43.43 49.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.47 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -59.13 -38.35 79.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.248 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -72.4 -49.31 34.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 80.6 mtp -60.04 -43.6 95.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.312 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 HD13 ' A' ' 52' ' ' ILE . 24.1 mm -64.66 -46.11 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.502 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.3 t -72.75 -14.13 61.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.232 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -62.71 -46.86 86.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.119 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.4 t -94.2 -32.6 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.277 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.508 ' OD1' ' OD1' ' A' ' 60' ' ' ASN . 7.2 t70 -48.0 102.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.56 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.92 6.71 30.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' ' N ' ' A' ' 60' ' ' ASN . 47.0 p-10 -129.77 13.32 5.85 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.953 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.38 34.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.582 ' N ' ' O ' ' A' ' 58' ' ' ASP . 24.5 p-10 -74.92 -29.92 61.1 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.379 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.53 -3.28 36.87 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.532 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 20.8 p -139.75 155.57 47.25 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.102 0.477 . . . . 0.0 110.691 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.7 mt -102.11 125.84 56.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 121.077 0.465 . . . . 0.0 110.168 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.45 ' HG3' ' H ' ' A' ' 67' ' ' GLU . 16.6 pt-20 -88.75 173.21 8.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.398 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.7 -41.81 91.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.31 -41.5 89.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.744 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.45 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 98.5 mt-10 -72.77 -45.6 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.472 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -59.13 -44.88 92.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.911 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.17 -55.9 26.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.419 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.9 t -63.43 -44.73 93.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.7 tp -47.04 -57.32 5.16 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.473 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mmm -73.32 -54.08 9.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.224 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.38 -30.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.795 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -79.09 -55.62 4.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.068 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -74.9 91.96 2.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.072 0.463 . . . . 0.0 110.571 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 76' ' ' VAL . 55.2 t -154.29 69.14 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.468 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -109.4 -90.05 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 0.0 110.517 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 80' ' ' ASP . 51.7 t0 -147.28 -30.25 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.606 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 5.3 p 62.24 -64.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.823 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 78' ' ' ASP . 31.8 t70 -165.52 148.58 7.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.548 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.67 -55.74 9.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.242 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -55.46 -24.45 31.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -76.44 -58.13 3.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.052 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.538 ' OE2' ' NH1' ' B' ' 38' ' ' ARG . 77.0 mm-40 -69.42 -35.04 75.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.874 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.46 -37.23 84.68 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.382 0.611 . . . . 0.0 111.467 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -84.61 -46.99 10.99 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.53 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -58.45 -42.74 88.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.078 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.97 -57.38 10.91 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.162 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.26 -39.08 72.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.499 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -60.55 -38.72 85.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.542 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.0 t -75.42 -52.72 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.945 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -56.39 -47.12 79.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.173 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.549 ' O ' ' N ' ' A' ' 96' ' ' GLN . 37.6 t0 -85.89 59.52 5.68 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -38.95 -59.26 0.99 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.573 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -64.09 -8.44 11.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.456 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.549 ' N ' ' O ' ' A' ' 93' ' ' ASP . 82.6 mt-30 43.11 58.68 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.245 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -98.06 -1.06 43.36 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.786 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.502 ' O ' ' ND2' ' A' ' 137' ' ' ASN . . . 98.07 -0.42 58.9 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 34.6 m-85 -144.9 150.47 37.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.022 0.439 . . . . 0.0 110.541 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.16 115.74 37.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.218 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 p -86.99 149.32 24.85 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.166 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -44.42 68.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.973 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.4 m -60.42 -44.44 95.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -61.22 -55.0 37.1 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.658 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 41.4 tp -61.27 -21.85 64.3 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -83.39 -43.04 16.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.222 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -54.34 -52.69 60.76 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.845 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 109' ' ' MET . 8.2 t -62.04 -64.95 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.406 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.7 tpt -31.18 -76.44 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.322 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 21.0 tt -48.15 -48.17 12.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.512 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 25.6 t-20 -63.12 -9.8 12.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.323 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 109' ' ' MET . 1.1 mp -100.1 11.74 38.62 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.602 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.82 -70.95 0.23 Allowed Glycine 0 CA--C 1.521 0.452 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -52.38 115.07 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.078 0.466 . . . . 0.0 110.223 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -100.02 115.03 28.78 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.331 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.4 mt -115.1 134.57 55.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.77 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.8 p -63.9 172.62 2.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 118' ' ' ASP . 65.9 t0 -66.59 -32.18 73.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.09 -43.31 74.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.66 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.482 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 50.4 tp10 -65.08 -44.39 89.07 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.708 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.64 -44.86 98.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.15 -19.93 65.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.045 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -77.53 -63.77 1.3 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.096 0.474 . . . . 0.0 111.98 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 125' ' ' ILE . 4.9 ppp? -53.76 -42.63 68.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.593 ' N ' ' SD ' ' A' ' 124' ' ' MET . 11.0 tp -63.18 -42.2 95.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.507 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.454 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 3.0 tppp? -64.43 -36.16 83.26 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.018 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -77.27 -53.03 8.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.576 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.537 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -48.28 -42.07 29.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.129 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 67.6 t0 -78.78 115.3 18.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 109.741 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.73 -41.26 96.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.064 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.452 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -86.15 -1.5 57.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.729 -179.081 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 48.03 39.07 18.51 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 78.8 m-20 -71.61 -15.21 62.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.984 0.421 . . . . 0.0 110.335 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.02 -1.87 56.56 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -145.13 149.95 35.92 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.904 0.383 . . . . 0.0 110.309 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.9 t -108.15 123.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.849 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 98' ' ' GLY . 18.4 t-20 -89.38 159.25 17.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.429 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -49.86 -41.58 45.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.233 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.94 -52.06 65.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.452 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 94.1 mt-10 -61.42 -37.52 83.79 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -61.44 -49.0 78.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.136 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 146' ' ' MET . 41.8 t -57.55 -46.41 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.816 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -68.0 -30.15 69.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.042 0.449 . . . . 0.0 111.189 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.521 ' SD ' ' O ' ' A' ' 144' ' ' MET . 4.3 tpt -75.6 -40.55 56.29 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.613 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.467 ' O ' ' C ' ' A' ' 146' ' ' MET . 92.4 mmm -96.03 -28.91 14.41 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.523 ' N ' ' O ' ' A' ' 142' ' ' VAL . 94.8 mtp . . . . . 0 C--O 1.22 -0.493 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.186 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.426 ' H3 ' ' H ' ' B' ' 20' ' ' ARG . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.426 ' H ' ' H3 ' ' B' ' 19' ' ' ALA . 57.9 ttp180 -60.52 -31.29 70.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.494 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -60.94 -49.7 76.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.353 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.482 ' NH1' ' OE2' ' A' ' 120' ' ' GLU . 16.9 mmt85 -63.74 -45.04 91.69 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.207 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.537 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 1.7 m95 -63.23 -45.26 92.44 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -67.72 -40.27 84.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.849 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.5 t -58.48 -44.02 89.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.936 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 50.3 p -61.16 -44.05 97.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.161 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 59.4 t -67.5 -42.92 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.535 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 59.8 m -59.52 -44.85 93.05 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.393 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.69 -41.7 91.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.35 -42.16 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -59.28 -47.66 84.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.042 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -67.44 -34.98 78.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.015 0.436 . . . . 0.0 110.085 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.493 ' O ' ' C ' ' B' ' 34' ' ' ALA . 49.3 ttp180 -65.94 -55.42 16.93 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.415 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 28.54 92.36 0.01 OUTLIER 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.42 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -90.18 -5.9 55.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.024 0.44 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.503 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 76.9 mmt-85 -108.44 1.22 21.51 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.44 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.503 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.4 OUTLIER 63.3 47.2 4.11 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.456 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.538 ' NH1' ' OE2' ' A' ' 84' ' ' GLU . 13.6 ptp180 -40.24 -30.61 0.1 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.689 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' MET . . . . . 0.48 ' SD ' ' C ' ' B' ' 39' ' ' MET . 1.1 tmt? -68.87 -65.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.699 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.406 HD11 HG23 ' B' ' 40' ' ' ILE . 90.6 mt -63.03 -43.37 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.368 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.6 p -55.95 -42.72 76.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.227 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' B' ' 42' ' ' ASN . 48.5 t-20 -64.05 -41.7 97.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.358 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.632 179.808 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 7' ' ' GLU . 24.8 p . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 120.769 0.319 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -48.66 -8.75 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.118 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.557 ' H ' ' C ' ' A' ' 5' ' ' SER . 75.2 mt-10 -64.3 -52.79 56.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.262 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -52.88 -50.04 64.67 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.19 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.91 -43.63 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.024 0.44 . . . . 0.0 110.587 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.0 t -59.25 -47.55 89.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.643 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -58.94 -50.15 75.15 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.292 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -61.84 -44.39 96.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.902 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -62.45 -38.74 90.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.394 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -66.12 -51.07 61.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.404 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.0 85.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.267 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 34.0 t80 -60.36 -49.63 76.83 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.191 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.78 -30.73 66.44 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.21 -50.41 68.17 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.167 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -30.92 67.48 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.312 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -96.42 84.87 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.929 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -62.2 -40.42 96.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.019 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' GLY . 54.3 p-10 -91.67 34.22 0.99 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.054 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.97 62.19 0.01 OUTLIER Glycine 0 N--CA 1.474 1.206 0 O-C-N 123.848 0.718 . . . . 0.0 112.421 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 10.9 p-10 -87.28 -22.49 25.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.4 . . . . 0.0 110.791 -178.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 112.24 -20.69 20.99 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.2 m -143.15 136.01 27.77 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.421 HG22 HD13 ' A' ' 27' ' ' ILE . 78.0 mt -76.78 124.05 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.8 -172.76 4.15 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.711 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.1 t -80.46 -49.01 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.535 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.78 -49.43 76.37 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.622 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -55.11 -45.29 75.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.093 0.473 . . . . 0.0 110.154 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.31 -39.55 87.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.048 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.28 -45.85 92.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.811 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 m -58.21 -48.74 79.43 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.573 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.02 -46.58 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.933 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.494 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 80.9 mt -62.96 -47.19 93.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.614 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -43.85 -54.95 4.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.092 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.4 p -64.42 -36.88 85.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.432 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.98 -2.52 30.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.349 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.548 ' CG ' ' H ' ' A' ' 41' ' ' GLN . 45.8 p-10 -157.83 -128.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.952 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.548 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 87.0 mt-30 -122.68 -77.94 0.6 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.824 0.345 . . . . 0.0 110.648 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -154.48 106.07 2.38 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.686 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -77.68 -170.1 0.88 Allowed 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.193 1.928 . . . . 0.0 111.717 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 46' ' ' GLU . 29.7 m -120.86 151.88 39.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.294 0.568 . . . . 0.0 110.367 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.34 -40.82 77.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.2 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 79.8 mm-40 -61.2 -59.75 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.303 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.61 -32.53 65.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.0 0.429 . . . . 0.0 110.475 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.5 mt -73.55 -53.25 10.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.994 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.8 -24.7 67.63 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.123 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 97.9 m-20 -68.66 -58.52 4.13 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.753 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.7 ttp -61.91 -39.06 90.71 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.173 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.438 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 6.2 mm -67.77 -23.47 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.543 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -87.97 -27.05 22.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.968 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -77.22 -7.81 56.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.358 . . . . 0.0 110.636 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -118.34 -33.75 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.515 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 52' ' ' ILE . 1.3 m-20 -67.86 106.68 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.158 0.504 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.13 6.5 32.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.762 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 59' ' ' GLY . 52.0 p30 -128.65 16.0 6.45 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.715 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.39 39.82 0.03 OUTLIER Glycine 0 N--CA 1.47 0.949 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 46.7 p-10 -82.39 -30.27 30.34 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.959 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 101.73 -0.19 52.47 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 p -135.93 157.5 46.69 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 122.659 -0.318 . . . . 0.0 110.192 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.0 mt -103.12 130.41 53.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.272 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.537 ' OE2' ' ND2' ' A' ' 60' ' ' ASN . 30.8 mp0 -96.04 163.74 13.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.328 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -51.05 -45.06 61.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.468 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -61.1 -39.31 89.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.425 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -72.48 -44.76 61.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -61.3 -45.46 94.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.504 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.99 -51.79 67.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.012 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.3 t -64.34 -41.85 96.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.636 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.7 tp -50.43 -46.43 56.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.648 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.5 mmt -84.43 -61.58 1.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.964 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.8 -43.35 2.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.7 -63.63 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.723 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -121.7 105.4 10.37 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.6 t -93.88 -102.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.812 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.655 ' HZ2' HH21 ' B' ' 38' ' ' ARG . 26.7 ttpp -173.61 83.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.277 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -133.95 18.41 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 79' ' ' THR . 1.6 t -106.67 33.14 4.06 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.465 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 79' ' ' THR . 64.9 m-20 -160.12 105.1 1.52 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.991 0.424 . . . . 0.0 110.531 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.96 -54.22 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.783 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -52.7 -19.26 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.129 0.49 . . . . 0.0 110.7 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -83.63 -57.14 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.053 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.96 -37.38 84.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.142 0.496 . . . . 0.0 110.298 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.23 -42.79 83.45 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.157 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -82.05 -43.42 17.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.026 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.527 ' OE2' ' NE ' ' B' ' 38' ' ' ARG . 74.1 tt0 -61.95 -37.33 84.34 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.82 -56.04 18.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.813 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -51.97 -41.69 62.33 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.646 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -61.43 -35.66 78.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 75.4 t -76.92 -51.12 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.461 . . . . 0.0 110.817 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -63.49 -48.33 78.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.668 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.4 t0 -92.09 72.6 5.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.397 . . . . 0.0 109.978 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -44.29 -53.61 6.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.312 -178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 20.4 p-10 -74.99 -3.05 30.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.947 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.544 ' C ' ' H ' ' A' ' 98' ' ' GLY . 78.5 mt-30 39.23 28.81 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.918 0.389 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' ASP . 38.2 p-10 -58.07 -2.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.615 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 101.82 -7.6 55.45 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 35.9 m-85 -140.06 146.86 39.49 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.9 mt -91.71 115.53 30.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.413 ' HG ' ' N ' ' A' ' 102' ' ' ALA . 1.9 t -82.91 146.93 28.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.178 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.413 ' N ' ' HG ' ' A' ' 101' ' ' SER . . . -55.0 -45.21 75.05 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.483 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.1 m -59.64 -42.68 93.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.954 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.84 -53.9 43.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.134 0.493 . . . . 0.0 110.126 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -61.45 -25.34 67.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.02 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -78.23 -51.39 10.26 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.886 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -47.85 -52.3 19.6 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.538 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.553 ' O ' ' N ' ' A' ' 111' ' ' ASN . 43.4 t -60.16 -63.06 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.16 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.474 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -29.6 -70.91 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.396 0.435 . . . . 0.0 110.556 -178.249 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.459 ' C ' ' H ' ' A' ' 112' ' ' LEU . 14.6 tt -54.92 -36.17 36.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.75 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 108' ' ' VAL . 5.0 t-20 -50.98 -12.76 0.12 Allowed 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.573 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.459 ' H ' ' C ' ' A' ' 110' ' ' ILE . 4.1 mm? -89.91 -111.42 0.08 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.22 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.37 32.75 1.84 Allowed Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -139.49 114.39 9.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.623 0.249 . . . . 0.0 110.382 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -87.65 111.65 21.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.179 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 mp -119.01 130.96 55.94 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.96 0.41 . . . . 0.0 110.625 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 51.5 p -73.37 177.28 5.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.525 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.24 -26.7 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.436 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.03 -54.14 16.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.738 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -57.67 -39.42 77.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.208 0.528 . . . . 0.0 110.066 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.2 t -66.89 -43.9 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.149 0.499 . . . . 0.0 110.027 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.48 -22.14 66.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.294 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -75.77 -60.67 2.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.359 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.528 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 15.1 ptm -53.49 -45.93 69.83 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.844 -178.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.528 ' N ' ' CG ' ' A' ' 124' ' ' MET . 19.3 tt -62.76 -38.98 83.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.694 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -65.12 -40.15 94.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.634 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -79.5 -54.67 5.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.702 0.287 . . . . 0.0 110.779 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.77 -42.84 65.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.168 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.5 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 35.9 t0 -89.66 113.21 24.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.134 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.603 ' CD1' ' HZ2' ' A' ' 143' ' ' LYS . 41.0 mt -62.65 -51.07 68.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.372 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 21.6 p-10 -82.21 -12.22 58.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.805 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.687 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 61.39 -91.08 0.06 OUTLIER Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.425 -0.893 . . . . 0.0 111.274 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 132' ' ' GLY . 0.4 OUTLIER 58.07 -11.3 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 121.289 -0.164 . . . . 0.0 111.113 -179.14 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.687 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 92.99 9.88 60.4 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.432 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -150.57 160.46 43.78 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 122.527 -0.396 . . . . 0.0 110.695 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.2 t -127.71 126.71 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.504 ' ND2' ' H ' ' A' ' 138' ' ' TYR . 4.1 t-20 -86.3 155.06 20.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.504 ' H ' ' ND2' ' A' ' 137' ' ' ASN . 61.8 t80 -52.08 -42.58 63.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.384 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.87 -45.54 92.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.559 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.441 ' OE1' ' OD1' ' A' ' 131' ' ' ASP . 40.9 mt-10 -65.56 -39.1 91.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.114 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -60.94 -46.76 89.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.62 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.41 -46.14 95.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.356 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.603 ' HZ2' ' CD1' ' A' ' 130' ' ' LEU . 30.5 ttpt -60.64 -33.95 73.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.442 ' SD ' ' O ' ' A' ' 144' ' ' MET . 2.8 tmm? -79.42 -35.81 39.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.882 0.372 . . . . 0.0 110.354 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.402 ' O ' ' SD ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -61.09 -31.92 71.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.686 -179.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.862 179.564 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.706 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -60.43 -38.01 82.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.316 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.446 ' O ' ' OG ' ' B' ' 25' ' ' SER . 98.9 mm-40 -67.07 -39.48 86.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -62.23 -39.8 94.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.163 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -66.8 -51.63 53.41 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.138 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -65.82 -34.7 78.75 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.011 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 64.8 m -60.69 -46.47 90.24 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.675 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 63.6 p -62.66 -44.81 95.32 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.521 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.67 -41.46 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.498 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.9 t -63.03 -43.88 97.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 63.9 mt -62.68 -41.01 90.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.3 t -57.19 -44.16 83.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.799 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.61 -43.41 98.87 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.641 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -68.51 -40.9 80.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.648 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.496 ' NH1' ' NH2' ' B' ' 35' ' ' ARG . 56.4 ttp180 -69.97 -45.26 67.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.906 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.454 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 36.86 53.08 1.09 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.86 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.496 ' NH2' ' NH1' ' B' ' 33' ' ' ARG . 37.4 ttm180 -57.1 -8.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.0 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.475 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 55.3 ttp180 -111.33 -3.57 15.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.091 0.472 . . . . 0.0 110.182 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.475 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.1 m-85 65.46 47.99 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.359 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.655 HH21 ' HZ2' ' A' ' 77' ' ' LYS . 72.9 mtp180 -40.08 -30.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.393 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' MET . . . . . 0.442 ' SD ' ' C ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -74.3 -70.06 0.42 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.849 -179.366 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.9 -24.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.304 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.0 p -76.69 -37.4 56.22 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.543 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 77.3 m-20 -104.07 12.23 34.29 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.557 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.548 ' CD1' ' N ' ' B' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.605 0 CA-C-O 117.856 -1.069 . . . . 0.0 112.269 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 C--O 1.219 -0.524 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -55.92 -20.35 15.61 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.032 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -61.14 -56.95 14.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.479 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.482 ' C ' HE21 ' A' ' 8' ' ' GLN . 0.0 OUTLIER -47.59 -39.74 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.963 -179.708 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -66.63 -43.4 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.08 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.29 -47.98 88.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.832 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -54.34 -62.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.973 0.416 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -58.26 -41.67 84.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.423 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -63.23 -32.47 73.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.635 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -65.78 -49.21 69.14 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.192 0.52 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.03 85.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.219 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -60.42 -49.84 75.96 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.968 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.55 -30.08 61.7 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.85 -48.21 72.35 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.469 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.485 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 31.8 m-85 -62.82 -35.19 79.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 37.0 t0 -89.64 76.65 7.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.193 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -66.07 -23.77 66.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.428 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 24' ' ' ASP . 45.5 p30 -109.97 31.46 5.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.035 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 23.39 46.13 0.01 OUTLIER Glycine 0 N--CA 1.474 1.224 0 O-C-N 123.796 0.685 . . . . 0.0 111.98 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 11.3 p-10 -74.91 -27.63 60.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.843 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.499 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 110.59 -10.76 30.41 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.523 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 16.8 m -148.72 169.61 20.04 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 122.508 -0.407 . . . . 0.0 110.315 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.1 mt -111.01 115.78 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 0.0 109.995 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 m -81.85 153.03 26.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.5 t -53.16 -47.1 56.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.668 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -63.25 -50.6 69.57 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.458 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 19' ' ' PHE . 59.2 tt0 -54.21 -42.77 70.15 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.141 0.496 . . . . 0.0 109.728 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 tp -63.01 -36.17 82.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.029 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.82 -46.13 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.384 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.17 -45.82 86.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.964 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' OG ' ' A' ' 38' ' ' SER . 96.1 t -63.91 -45.81 95.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.469 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.09 -43.59 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.586 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -56.62 -44.6 81.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.416 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.62 ' C ' ' H ' ' A' ' 40' ' ' ASP . 94.3 p -55.57 -28.71 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 41' ' ' GLN . 1.5 tp -65.83 16.54 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.607 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.62 ' H ' ' C ' ' A' ' 38' ' ' SER . 3.0 t70 75.3 -37.3 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.402 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.473 ' H ' ' C ' ' A' ' 39' ' ' LEU . 95.4 mm-40 -77.9 158.13 29.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.008 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -147.26 69.84 11.71 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.83 0.348 . . . . 0.0 110.298 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.49 -152.96 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.879 2.386 . . . . 0.0 111.576 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.485 ' HG1' ' H ' ' A' ' 46' ' ' GLU . 5.6 t -119.86 148.15 43.83 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.864 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -57.53 -22.65 45.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.485 ' H ' ' HG1' ' A' ' 44' ' ' THR . 80.6 tt0 -61.38 -43.67 98.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.331 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.8 -29.02 68.85 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.044 0.45 . . . . 0.0 110.851 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 48' ' ' LEU . 8.3 mp -77.64 -47.38 19.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.895 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 53' ' ' SER . 40.7 mm-40 -66.79 -28.59 68.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.179 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.421 ' O ' ' OG ' ' A' ' 53' ' ' SER . 99.3 m-20 -66.54 -54.16 26.81 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.076 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtm -65.62 -37.97 88.1 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.768 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.0 mt -75.45 -31.38 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.013 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 7.1 p -64.81 -49.22 71.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.155 0.502 . . . . 0.0 110.891 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -64.65 -41.69 95.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.764 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.8 t -78.34 -20.92 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.024 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.82 98.77 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.045 0.45 . . . . 0.0 110.421 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.57 -17.7 35.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.528 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.7 p30 -128.24 22.94 6.05 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.971 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 28.45 39.3 0.01 OUTLIER Glycine 0 N--CA 1.472 1.036 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 47.2 p30 -79.6 -25.91 41.37 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.703 0.287 . . . . 0.0 110.894 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.532 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 97.35 -6.6 63.49 Favored Glycine 0 N--CA 1.463 0.463 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.0 p -126.29 167.02 16.05 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.3 mt -106.8 132.44 54.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.274 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.494 ' OE1' ' ND2' ' A' ' 60' ' ' ASN . 1.6 mp0 -101.37 155.69 17.9 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.344 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -42.76 -48.6 5.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.639 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -61.6 -34.6 75.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.184 0.516 . . . . 0.0 110.564 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 64' ' ' GLU . 96.5 mt-10 -75.04 -45.61 40.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.847 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -62.87 -35.93 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.716 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -61.9 2.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.454 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.3 t -62.03 -37.65 85.75 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.284 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.459 ' C ' ' CD2' ' A' ' 71' ' ' LEU . 6.6 tt -57.03 -45.41 83.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.634 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.7 tpt -86.52 -48.28 8.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.954 0.406 . . . . 0.0 111.037 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.02 -20.27 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.452 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 75' ' ' LYS . 13.2 tptt -59.02 -63.61 1.24 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.741 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.542 ' O ' ' C ' ' A' ' 76' ' ' VAL . 63.6 tttp -44.01 -90.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.698 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.542 ' C ' ' O ' ' A' ' 75' ' ' LYS . 4.1 t -4.99 108.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 O-C-N 124.706 1.254 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 44.3 tttp 78.53 99.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.381 0.425 . . . . 0.0 110.33 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 0.8 OUTLIER 165.99 -14.78 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.438 ' H ' ' HG1' ' A' ' 79' ' ' THR . 10.1 p -84.55 155.65 22.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.383 . . . . 0.0 110.836 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.55 170.22 5.28 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.4 0.619 . . . . 0.0 110.458 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.55 -52.58 24.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.351 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.4 mp0 -57.97 -19.41 30.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.637 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -78.03 -57.49 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.712 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.5 ' CD ' ' HZ2' ' B' ' 31' ' ' LYS . 80.9 mm-40 -69.92 -35.55 74.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.102 0.477 . . . . 0.0 110.784 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.48 -38.85 85.01 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.338 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -82.13 -44.55 16.33 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.332 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -60.89 -38.13 84.61 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.171 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.54 -57.34 8.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.903 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.41 ' CE1' ' OD2' ' A' ' 93' ' ' ASP . 57.0 t80 -53.72 -38.19 64.06 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.053 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -59.4 -35.72 74.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.034 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.8 t -73.44 -53.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.857 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -62.3 -47.73 83.02 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.183 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.3 t0 -80.47 62.39 4.55 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.098 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.444 ' C ' ' H ' ' A' ' 96' ' ' GLN . 36.9 ttmt -43.96 -56.51 3.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.062 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.468 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -66.04 0.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.641 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 93' ' ' ASP . 17.2 pt20 34.42 42.75 0.07 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.515 0.509 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -89.89 1.99 55.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.752 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.91 -7.58 80.98 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -130.84 135.68 47.95 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.6 mt -94.69 116.51 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.898 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 m -87.8 152.19 22.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.563 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.99 -45.47 64.51 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.632 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.0 m -57.26 -37.9 73.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.556 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 64.3 mt-10 -66.36 -54.84 19.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.224 0.535 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.67 -27.87 69.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.198 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -74.85 -46.61 35.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.056 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -55.19 -49.49 71.78 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.501 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 109' ' ' MET . 48.8 t -61.71 -62.68 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.054 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.6 OUTLIER -32.71 -76.5 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.857 0.36 . . . . 0.0 111.199 -179.211 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.553 ' C ' ' H ' ' A' ' 112' ' ' LEU . 19.7 tt -49.84 -46.7 22.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.988 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.466 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 37.9 t30 -48.63 -10.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.532 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.553 ' H ' ' C ' ' A' ' 110' ' ' ILE . 45.2 mt -103.42 -154.99 0.51 Allowed 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.616 ' N ' ' NH2' ' B' ' 33' ' ' ARG . . . -89.54 -16.34 57.05 Favored Glycine 0 CA--C 1.519 0.297 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -88.68 102.33 14.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.859 0.361 . . . . 0.0 110.114 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -90.69 110.25 21.42 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.5 mt -109.59 154.96 22.04 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.04 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.438 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 53.1 p -91.5 176.98 6.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -65.12 -38.0 89.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.887 0.375 . . . . 0.0 110.928 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -68.01 -45.42 74.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.519 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 50.2 tp10 -64.26 -39.42 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.451 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 42.3 t -60.96 -46.72 96.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.221 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.91 -39.35 85.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.255 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -57.62 -62.26 1.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.405 ' CE ' ' CD1' ' B' ' 23' ' ' TRP . 26.5 ttt -48.48 -46.69 38.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.846 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.1 mm -56.82 -37.8 55.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.651 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -78.71 -23.84 45.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.046 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -84.01 -58.14 2.9 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.497 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.671 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -58.98 -42.56 90.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.496 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.547 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 46.8 t0 -81.44 115.72 20.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.152 0.501 . . . . 0.0 110.38 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.683 ' H ' ' CD2' ' A' ' 130' ' ' LEU . 0.5 OUTLIER -67.05 -52.65 39.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.342 -178.596 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 11.5 p-10 -86.0 -8.83 57.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.531 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.722 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 63.35 -81.83 0.04 OUTLIER Glycine 0 C--O 1.228 -0.233 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.19 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.44 ' CG ' ' C ' ' A' ' 132' ' ' GLY . 0.1 OUTLIER 52.8 -12.21 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 122.261 0.224 . . . . 0.0 110.93 -179.406 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.722 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 96.13 4.51 59.88 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.498 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 14.1 pt20 -151.32 161.16 43.21 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 122.516 -0.402 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.2 t -123.93 127.62 73.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-O 120.871 0.367 . . . . 0.0 111.374 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -88.78 163.75 15.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.352 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.53 -38.68 78.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.458 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.89 -51.14 71.3 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.131 0.491 . . . . 0.0 110.716 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.448 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 88.7 mt-10 -60.21 -37.45 80.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.142 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.37 -47.66 84.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.5 -58.29 5.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.835 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -60.22 -30.51 69.45 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.977 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 144' ' ' MET . 0.7 OUTLIER -72.29 -23.66 61.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.224 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.7 mmm -92.19 -19.36 22.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.471 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 55.5 mmm . . . . . 0 N--CA 1.464 0.268 0 O-C-N 123.63 0.581 . . . . 0.0 110.921 -179.441 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.415 ' H3 ' ' H ' ' B' ' 20' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.415 ' H ' ' H3 ' ' B' ' 19' ' ' ALA . 31.4 ptt-85 -59.49 -33.76 71.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.513 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.437 ' O ' ' OG ' ' B' ' 25' ' ' SER . 91.9 mm-40 -68.42 -39.08 81.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.613 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.519 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 83.6 mtt85 -61.83 -42.01 98.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.467 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.671 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.8 m95 -64.51 -51.04 64.96 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.172 0.51 . . . . 0.0 110.3 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -65.37 -37.83 88.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.768 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 73.0 m -60.87 -42.21 97.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.004 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -59.7 -44.41 93.69 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.27 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -68.09 -44.83 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.887 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m -68.87 -40.72 79.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.403 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' B' ' 33' ' ' ARG . 61.3 mt -62.86 -42.71 97.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.91 -46.73 95.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.154 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.5 ' HZ2' ' CD ' ' A' ' 84' ' ' GLU . 55.9 mtpt -66.95 -45.97 76.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.758 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -67.37 -38.94 85.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.671 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.616 ' NH2' ' N ' ' A' ' 113' ' ' GLY . 57.8 ttm-85 -64.55 -44.08 91.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.645 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 38.49 -86.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.45 0.468 . . . . 0.0 110.258 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.615 ' NH2' ' NH1' ' B' ' 33' ' ' ARG . 36.7 ttm180 65.53 -32.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.496 0.497 . . . . 0.0 110.364 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.645 ' H ' ' C ' ' B' ' 34' ' ' ALA . 61.3 ttt180 -86.84 -6.82 58.68 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.507 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.5 OUTLIER 64.68 43.36 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.374 179.273 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' B' ' 37' ' ' PHE . 50.4 mtm180 -35.83 -34.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.099 0.476 . . . . 0.0 110.953 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' MET . . . . . 0.439 ' N ' ' O ' ' B' ' 37' ' ' PHE . 9.6 tpt -69.02 -69.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.787 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.33 -43.05 98.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.653 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.7 t -54.61 -45.26 73.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.107 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -64.14 -41.59 97.14 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.398 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' B' ' 43' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.862 -1.066 . . . . 0.0 110.421 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.881 0.372 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -52.0 -29.2 19.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.32 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -57.72 -57.19 13.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -50.46 -47.3 56.97 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.03 -43.7 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.604 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.7 t -56.76 -47.39 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -57.33 -49.75 75.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -57.78 -42.69 84.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.062 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -60.05 -39.97 87.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.22 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -59.36 -51.85 68.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.156 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -40.48 70.05 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.245 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -61.56 -47.01 87.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.87 -38.49 64.99 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.75 -46.37 82.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.748 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -67.06 -42.09 85.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.719 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.1 t0 -95.99 76.84 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.07 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.46 -30.38 64.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.129 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -102.1 32.69 3.37 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.59 64.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 O-C-N 123.486 0.491 . . . . 0.0 112.205 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . 50.1 m-20 -89.18 -25.06 22.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.16 9.43 22.15 Favored Glycine 0 N--CA 1.466 0.694 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.3 p -171.48 125.17 0.6 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.966 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mt -74.58 128.06 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.3 m -96.54 154.5 17.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.099 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.428 ' CG2' ' NE2' ' A' ' 49' ' ' GLN . 43.6 t -47.33 -45.24 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.002 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.54 -54.14 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.332 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -50.84 -42.56 58.66 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -41.0 97.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.586 179.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.02 -47.9 79.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.108 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 m -59.17 -55.0 40.59 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.61 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.73 -46.04 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.681 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.4 mt -59.75 -41.61 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.156 0.503 . . . . 0.0 109.826 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -63.79 -28.98 70.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.039 0.447 . . . . 0.0 109.903 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 t -86.47 23.83 1.53 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -112.47 8.78 19.5 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 3.1 t70 83.92 19.67 0.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.651 0.595 . . . . 0.0 110.825 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' B' ' 41' ' ' SER . 19.6 pt20 -150.71 160.49 43.81 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.343 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -143.49 75.23 16.72 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.27 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.43 165.16 31.23 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.953 2.435 . . . . 0.0 112.21 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -74.61 149.29 40.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.538 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' LEU . 4.0 mt-10 -57.42 -42.06 81.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.275 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -42.17 -46.43 4.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.452 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -67.13 -28.79 68.43 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 45' ' ' GLU . 44.1 mt -78.24 -48.76 15.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.948 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.428 ' NE2' ' CG2' ' A' ' 29' ' ' VAL . 42.8 mm-40 -63.41 -29.41 70.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.274 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -70.62 -59.69 2.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.711 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -59.39 -41.32 89.1 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.773 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.6 mt -66.02 -28.33 43.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.229 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -87.64 -22.46 24.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.872 0.368 . . . . 0.0 110.388 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -70.98 -4.19 23.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.7 t -129.67 -39.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.727 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 67.4 t0 -46.74 105.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.39 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.35 5.06 32.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.573 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.561 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 1.7 p-10 -131.43 16.21 4.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.101 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.94 39.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.539 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 42.7 p-10 -82.62 -31.67 28.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.458 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 101.57 0.48 53.07 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.521 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 13.6 p -137.49 139.99 40.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.725 0.298 . . . . 0.0 110.304 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.2 mt -93.15 127.26 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.407 . . . . 0.0 110.48 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.43 161.06 16.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.415 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -46.59 -48.93 19.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.386 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -60.59 -38.38 84.44 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.375 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -73.69 -44.36 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.617 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -61.59 -44.18 97.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.216 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.97 -59.6 5.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.325 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.463 ' HG ' ' N ' ' A' ' 71' ' ' LEU . 78.1 p -60.3 -38.08 82.52 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.557 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.463 ' N ' ' HG ' ' A' ' 70' ' ' SER . 5.1 tt -55.27 -48.57 73.83 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.962 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -81.17 -47.1 13.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.285 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.21 -34.72 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.594 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -81.52 -58.71 2.9 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -75.87 106.37 7.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.356 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.645 ' CG1' ' H ' ' A' ' 77' ' ' LYS . 47.7 t -140.92 -123.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.645 ' H ' ' CG1' ' A' ' 76' ' ' VAL . 10.2 tttm -14.4 123.34 0.01 OUTLIER 'General case' 0 C--N 1.344 0.365 0 O-C-N 123.631 0.582 . . . . 0.0 110.951 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.476 ' C ' ' OG1' ' A' ' 79' ' ' THR . 39.0 t70 -99.08 -80.13 0.47 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.155 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.476 ' OG1' ' C ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 172.24 -166.82 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.268 -179.583 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 79' ' ' THR . 88.7 m-20 58.02 133.14 0.0 OUTLIER 'General case' 0 C--O 1.242 0.678 0 CA-C-O 121.83 0.824 . . . . 0.0 110.809 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.47 -50.94 14.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.24 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 57.6 mp0 -57.4 -15.65 7.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -84.21 -55.59 4.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.427 ' CD ' ' HZ1' ' A' ' 77' ' ' LYS . 92.8 mt-10 -67.52 -38.81 84.8 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.156 0.503 . . . . 0.0 110.656 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.65 -30.35 68.02 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.707 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.6 -40.31 17.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.237 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -57.09 -43.83 82.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.036 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.04 -58.17 6.1 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.488 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 68.1 t80 -53.69 -38.48 64.28 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.369 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -62.27 -38.3 88.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.728 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.5 t -75.43 -52.16 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -62.13 -48.59 79.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.405 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 96' ' ' GLN . 10.0 t0 -88.28 62.37 6.66 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -39.89 -57.8 1.52 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.816 0.341 . . . . 0.0 111.516 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 38.3 p-10 -68.94 -7.99 40.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.542 ' N ' ' O ' ' A' ' 93' ' ' ASP . 77.8 mt-30 40.67 61.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.417 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -96.85 -1.21 46.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.583 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.424 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.08 -4.87 52.57 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.508 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 9.9 m-85 -142.92 148.47 36.98 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.756 0.312 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 mt -96.0 117.08 39.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -86.12 147.42 26.16 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.725 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.94 -43.89 66.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.6 p -60.29 -41.2 92.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.633 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.7 -50.54 62.52 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.179 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.5 tp -66.53 -23.32 66.21 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.345 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.5 ttt-85 -83.2 -43.06 16.54 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.575 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -54.47 -51.25 65.61 Favored 'General case' 0 CA--C 1.519 -0.212 0 O-C-N 123.562 0.539 . . . . 0.0 109.776 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.5 ' O ' ' C ' ' A' ' 109' ' ' MET . 21.9 t -62.5 -63.28 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.508 ' CE ' ' HG ' ' B' ' 26' ' ' SER . 0.0 OUTLIER -30.07 -74.26 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.933 -178.763 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.571 ' C ' ' H ' ' A' ' 112' ' ' LEU . 16.4 tt -49.19 -44.44 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.105 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 108' ' ' VAL . 63.8 t30 -49.7 -8.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.622 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.571 ' H ' ' C ' ' A' ' 110' ' ' ILE . 71.7 mt -97.59 10.51 39.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.506 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.98 45.73 10.12 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -135.38 130.2 34.55 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.205 0.526 . . . . 0.0 110.484 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -99.5 94.94 6.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.739 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.1 mt -100.2 131.86 45.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.324 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 p -70.42 160.57 32.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.243 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.62 -33.2 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.01 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 60.5 mp0 -68.78 -43.92 74.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.721 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -64.83 -45.19 87.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.48 -46.12 93.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.406 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.519 ' OE2' ' NZ ' ' A' ' 126' ' ' LYS . 36.9 tp10 -60.25 -27.4 67.19 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.319 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -70.94 -60.16 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.452 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.7 ttt -44.78 -54.43 6.34 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.765 0.317 . . . . 0.0 111.045 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 tp -55.84 -43.0 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.582 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.519 ' NZ ' ' OE2' ' A' ' 122' ' ' GLU . 47.8 mttp -71.34 -28.44 64.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.427 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -79.1 -55.19 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.59 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -48.37 -41.88 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.536 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.2 t0 -79.07 107.83 12.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.24 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.416 ' H ' HD22 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -79.61 -26.68 41.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 132' ' ' GLY . 5.5 p-10 -89.52 -0.6 57.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.545 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 52.51 106.91 0.01 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.451 ' OD2' ' O ' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -154.78 -22.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.614 0.245 . . . . 0.0 110.355 179.74 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.13 1.75 58.21 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.451 ' O ' ' OD2' ' A' ' 133' ' ' ASP . 7.7 mt-30 -146.95 156.3 42.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.38 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.36 122.62 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.419 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.508 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 21.3 t-20 -86.19 155.18 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.757 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -46.62 -44.33 18.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.129 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.3 -47.0 87.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.997 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.67 -39.68 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.286 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.97 -48.57 81.16 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.251 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.2 t -57.9 -47.34 86.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.268 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.27 -32.69 73.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.523 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.5 tpt -73.05 -38.7 66.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.715 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -26.31 67.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.68 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.8 mtp . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.455 ' H2 ' ' H ' ' B' ' 20' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.455 ' H ' ' H2 ' ' B' ' 19' ' ' ALA . 2.4 mtt180 -60.01 -44.09 94.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.242 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.416 ' O ' ' OG ' ' B' ' 25' ' ' SER . 83.7 mt-30 -63.78 -42.86 97.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.419 -179.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.44 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 0.2 OUTLIER -61.91 -46.73 88.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.641 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.59 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 0.8 OUTLIER -62.73 -47.85 81.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.994 179.517 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.56 -39.98 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.13 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 72.3 m -60.61 -41.98 95.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.113 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.508 ' HG ' ' CE ' ' A' ' 109' ' ' MET . 5.8 m -60.52 -44.26 96.22 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.187 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.61 -43.33 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.616 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -65.73 -45.22 83.48 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.322 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.52 -42.93 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.234 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.48 -40.51 84.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.646 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.565 ' NZ ' HH22 ' B' ' 38' ' ' ARG . 28.3 tptt -62.86 -42.84 99.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.432 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -77.01 -14.81 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.965 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' B' ' 34' ' ' ALA . 52.9 ttp180 -79.02 -60.63 2.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.503 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 35.6 48.89 0.48 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.031 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -58.97 -4.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.194 0.521 . . . . 0.0 110.098 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.503 ' H ' ' C ' ' B' ' 34' ' ' ALA . 88.9 mtm180 -104.09 -0.36 28.76 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.547 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.433 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.3 OUTLIER 58.97 50.06 8.81 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.187 179.65 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.565 HH22 ' NZ ' ' B' ' 31' ' ' LYS . 24.9 mtm180 -50.1 -33.99 20.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.158 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' B' ' 39' ' ' MET . 0.6 OUTLIER -61.74 -69.63 0.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.146 0.498 . . . . 0.0 110.744 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.91 -44.41 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.472 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.55 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 56.6 m -53.1 -44.09 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.093 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -64.75 -41.03 96.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.514 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.289 -179.673 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.898 0.38 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -51.71 -22.05 3.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.453 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.53 -54.63 36.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.108 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.515 HE22 ' CG ' ' B' ' 32' ' ' ASN . 17.1 mm100 -52.06 -47.4 65.14 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.45 -47.04 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.342 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.7 t -57.75 -46.94 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -52.39 -65.56 0.54 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.148 0.499 . . . . 0.0 109.816 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -48.64 -39.4 24.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.426 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -60.88 -39.47 89.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.76 -51.13 66.27 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.65 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.73 71.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 41.9 t80 -63.12 -48.29 79.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.328 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.49 -34.13 54.71 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.78 -44.68 76.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.975 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CE2' ' CD1' ' B' ' 37' ' ' PHE . 14.9 m-85 -59.38 -37.08 77.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.471 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.528 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 95.5 m-20 -100.1 81.54 2.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.72 -19.6 64.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.361 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' GLY . 51.8 p30 -109.97 35.03 3.53 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.811 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.67 57.73 0.01 OUTLIER Glycine 0 N--CA 1.469 0.835 0 O-C-N 123.923 0.764 . . . . 0.0 111.837 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 12.3 p-10 -83.14 -27.99 29.71 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 106.66 9.1 31.42 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 10.4 m -161.27 164.88 29.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.847 0.356 . . . . 0.0 110.445 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -112.33 114.09 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.16 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.415 ' OG1' ' OE1' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -85.43 -168.03 2.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.336 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.8 t -86.57 -44.78 16.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.448 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -64.95 -40.26 94.74 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.403 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.415 ' OE1' ' OG1' ' A' ' 28' ' ' THR . 91.5 mt-10 -62.6 -49.09 76.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.856 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -62.09 -37.88 86.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.892 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.75 -48.03 83.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.281 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.8 m -56.19 -46.71 79.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.202 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.491 ' O ' ' OG ' ' A' ' 38' ' ' SER . 95.6 t -60.3 -42.51 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.365 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.69 -43.98 99.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.561 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.6 mtm-85 -62.6 -32.06 73.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' A' ' 35' ' ' VAL . 29.9 p -56.02 -30.62 62.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.221 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.8 mp -77.06 15.58 0.68 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.742 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 38' ' ' SER . 91.3 m-20 62.77 46.6 5.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.715 0.634 . . . . 0.0 110.661 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -154.01 129.44 9.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.364 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -123.09 80.89 51.39 Favored Pre-proline 0 N--CA 1.47 0.557 0 CA-C-O 121.082 0.467 . . . . 0.0 110.829 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.21 -153.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.003 2.469 . . . . 0.0 111.608 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 t -111.17 146.41 36.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.296 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -54.14 -22.62 11.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.572 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.06 -44.9 95.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.71 -29.72 70.29 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 120.973 0.416 . . . . 0.0 110.542 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 48' ' ' LEU . 9.5 mp -76.97 -55.52 5.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -59.92 -26.27 65.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.215 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 54' ' ' GLU . 45.5 t0 -68.97 -59.0 3.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.12 -41.08 99.27 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.544 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.1 mm -62.63 -30.1 48.48 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.0 m -96.48 -17.9 20.22 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.017 0.437 . . . . 0.0 110.928 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 50' ' ' ASP . 50.7 tp10 -61.9 -45.91 91.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.271 -178.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 57' ' ' ALA . 5.1 p -97.81 -44.91 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.892 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.508 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 37.1 t0 -55.79 82.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.534 -178.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.629 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.01 -67.92 0.24 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.396 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 59' ' ' GLY . 4.2 p30 -66.01 16.18 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.629 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 13.08 60.14 0.01 OUTLIER Glycine 0 C--N 1.342 0.898 0 O-C-N 124.012 0.82 . . . . 0.0 111.219 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.55 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 8.7 p-10 -81.89 -2.67 51.98 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 120.859 0.361 . . . . 0.0 110.105 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.15 2.36 71.25 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.55 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 65.6 p -139.72 146.33 39.45 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.961 0.41 . . . . 0.0 110.489 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.41 HG21 HD12 ' A' ' 63' ' ' ILE . 84.1 mt -108.66 134.54 50.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.211 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.564 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 45.6 mp0 -92.15 161.59 14.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.603 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -53.97 -45.81 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.551 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 67' ' ' GLU . 39.3 p-10 -60.47 -33.98 73.36 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.804 0.335 . . . . 0.0 110.756 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.504 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.0 mt-10 -72.98 -50.31 24.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.806 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -61.07 -44.04 97.98 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.356 0.598 . . . . 0.0 110.364 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 2.1 tt -55.94 -61.27 2.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.222 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 10.1 t -59.81 -38.69 82.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.051 0.453 . . . . 0.0 110.832 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 tp -47.61 -46.82 28.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.0 ttm -92.1 -50.54 5.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.29 -178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.08 -33.93 63.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.118 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 70' ' ' SER . 87.2 tttt -57.47 -66.02 0.53 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.301 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -121.68 103.16 8.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 110.939 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.4 t -92.4 -103.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.733 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.653 ' CG ' ' H ' ' A' ' 78' ' ' ASP . 0.4 OUTLIER -89.12 -107.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.653 ' H ' ' CG ' ' A' ' 77' ' ' LYS . 13.4 t0 74.85 22.68 1.86 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.577 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.1 t -146.0 140.29 26.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.468 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 82' ' ' GLU . 72.4 m-20 44.45 62.51 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 80' ' ' ASP . . . -35.59 -32.14 0.02 OUTLIER 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.386 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.619 ' O ' ' N ' ' A' ' 85' ' ' LEU . 44.0 tt0 -74.01 -72.26 0.28 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.109 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 82' ' ' GLU . 81.3 tt0 -34.04 -35.73 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.288 0.566 . . . . 0.0 110.005 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' GLU . 5.5 tm-20 -69.41 -46.23 67.32 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.513 178.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.619 ' N ' ' O ' ' A' ' 82' ' ' GLU . 74.7 mt -70.6 -9.39 56.79 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.53 178.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -83.51 -50.76 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.99 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' A' ' 88' ' ' ALA . 2.6 pp20? -64.81 -35.12 80.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.537 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -62.21 -47.89 82.44 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.97 -37.47 84.92 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.077 0.465 . . . . 0.0 110.051 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -58.84 -32.08 69.09 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.343 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.75 -52.96 15.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -56.4 -43.59 79.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.867 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 96' ' ' GLN . 41.1 t0 -95.83 77.07 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.134 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -41.93 -61.33 1.15 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.972 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 38.7 p-10 -65.89 -1.76 3.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 93' ' ' ASP . 18.7 pt20 33.79 44.42 0.08 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.566 0.542 . . . . 0.0 111.009 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -82.25 1.03 38.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.127 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.89 -9.19 61.72 Favored Glycine 0 N--CA 1.461 0.348 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -130.17 135.79 48.56 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.699 0.285 . . . . 0.0 110.563 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.1 mt -89.72 112.04 23.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.0 p -83.17 157.16 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.696 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.71 97.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.603 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -58.65 -43.42 89.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -69.0 -53.04 22.67 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.943 0.401 . . . . 0.0 110.352 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.0 tp -58.02 -27.46 63.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.485 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -82.06 -40.72 21.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.26 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 111' ' ' ASN . 52.7 t60 -54.37 -56.58 17.11 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.006 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' ' 109' ' ' MET . 3.5 t -61.31 -64.44 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.502 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.516 ' C ' ' O ' ' A' ' 108' ' ' VAL . 3.6 tpt -30.1 -73.44 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.394 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.509 ' C ' ' H ' ' A' ' 112' ' ' LEU . 10.7 tp -52.81 -43.29 45.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.462 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 66.4 t30 -46.9 -13.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.787 0.327 . . . . 0.0 110.585 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 110' ' ' ILE . 62.4 mt -96.25 -161.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.258 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.39 0.93 83.58 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -70.45 -173.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.772 0.32 . . . . 0.0 110.426 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt 178.72 75.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.334 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 3.7 mm? -103.65 156.18 17.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.836 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.7 p -78.35 -178.17 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.563 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -73.65 -30.82 63.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.018 0.437 . . . . 0.0 110.661 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 58.1 mp0 -76.14 -41.15 50.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -65.99 -42.31 89.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.09 -49.3 83.92 Favored 'Isoleucine or valine' 0 C--O 1.246 0.869 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.35 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.36 -28.55 68.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.171 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.438 ' O ' ' OE1' ' A' ' 123' ' ' GLN . 0.1 OUTLIER -67.41 -53.06 32.52 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.708 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.4 ttt -50.97 -59.07 4.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.819 0.343 . . . . 0.0 110.647 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.0 tt -54.35 -37.11 36.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.631 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.94 -44.92 87.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.762 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.36 -46.54 66.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.624 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -58.17 -25.77 61.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.516 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 47.9 t0 -98.04 103.11 15.02 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.933 0.397 . . . . 0.0 110.016 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.431 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 10.2 mp -62.0 -49.1 77.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 2.8 p30 -77.46 -5.23 49.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.654 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 46.38 44.06 15.25 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.538 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.526 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 57.7 m-20 -69.25 -7.53 37.68 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.45 -3.28 53.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -152.99 176.27 12.05 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 120.854 0.359 . . . . 0.0 110.365 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.5 t -124.3 125.78 71.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.951 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -90.97 156.28 18.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.732 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -48.67 -42.76 35.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.193 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.98 -48.67 80.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.919 0.39 . . . . 0.0 110.247 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.2 -40.72 98.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -61.09 -49.7 76.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.974 0.416 . . . . 0.0 110.583 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.15 -43.97 94.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.258 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.28 -35.89 80.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.265 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 144' ' ' MET . 0.4 OUTLIER -72.81 -30.0 63.71 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.938 0.399 . . . . 0.0 111.129 179.55 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 92.2 mmm -89.46 -29.01 19.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.54 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 87.7 mmm . . . . . 0 N--CA 1.465 0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.94 -179.543 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -62.02 -38.96 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.444 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.82 -39.81 87.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.364 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -62.01 -39.77 93.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.031 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.624 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 2.0 m95 -63.05 -51.93 64.76 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.288 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -65.24 -34.34 78.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.104 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.5 t -60.4 -45.79 92.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.498 ' OG ' ' SD ' ' A' ' 109' ' ' MET . 16.3 m -59.82 -46.43 89.24 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.609 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 90.1 t -68.82 -42.55 82.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.524 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 63.8 p -64.28 -40.45 95.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' B' ' 33' ' ' ARG . 51.5 mt -61.95 -42.83 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.275 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' B' ' 34' ' ' ALA . 38.2 t -60.86 -44.4 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.154 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -76.63 -25.28 53.64 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.747 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . 0.515 ' CG ' HE22 ' A' ' 8' ' ' GLN . 99.2 m-20 -90.98 -13.69 32.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.118 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' B' ' 35' ' ' ARG . 69.3 ttt180 -109.49 -47.52 3.37 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.424 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.582 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 63.37 -66.54 0.1 Allowed 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 123.275 0.36 . . . . 0.0 110.497 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' B' ' 33' ' ' ARG . 67.9 ttp85 68.45 -37.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.425 0.453 . . . . 0.0 110.395 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.582 ' H ' ' C ' ' B' ' 34' ' ' ALA . 87.0 mtt180 -97.71 -6.36 33.16 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.692 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.522 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER 66.0 57.37 0.8 Allowed 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 121.006 0.431 . . . . 0.0 110.358 179.379 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 38' ' ' ARG . 36.8 mtp-105 -46.96 -39.47 12.45 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.911 0.386 . . . . 0.0 110.421 -178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -66.64 -67.96 0.41 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.49 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.441 HG22 HD12 ' B' ' 40' ' ' ILE . 93.7 mt -60.79 -42.85 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.115 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' B' ' 37' ' ' PHE . 87.8 p -51.46 -45.37 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.119 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -63.01 -42.08 99.74 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.618 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' B' ' 43' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.216 -0.671 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.721 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.91 0.386 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -54.88 -23.3 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.402 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -59.93 -28.06 67.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.245 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -76.32 -52.73 9.36 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.12 -39.95 84.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.056 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.79 -49.48 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.196 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.526 ' CG ' ' HE ' ' B' ' 33' ' ' ARG . 50.7 t0 -51.98 -51.73 55.29 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.244 0.545 . . . . 0.0 110.069 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -61.83 -37.26 83.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.278 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -57.93 -41.78 83.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.186 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.07 -47.86 82.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.043 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.31 82.3 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.338 0.589 . . . . 0.0 110.278 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.44 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 18.9 t80 -59.01 -46.48 88.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.329 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.92 -38.55 65.38 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.32 -44.39 96.61 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.239 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.501 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 21.6 m-85 -70.52 -40.34 73.54 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.862 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 11.4 t0 -92.5 81.99 4.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.536 ' NZ ' ' CG2' ' A' ' 35' ' ' VAL . 3.5 mptp? -59.24 -42.18 90.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.264 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 23' ' ' GLY . 2.8 p30 -92.16 32.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.525 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.74 57.5 0.01 OUTLIER Glycine 0 N--CA 1.473 1.151 0 O-C-N 123.63 0.581 . . . . 0.0 111.761 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 22' ' ' ASP . 57.9 m-20 -78.28 -28.6 47.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.457 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.456 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 110.51 11.89 18.41 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 11.6 m -160.0 164.35 33.35 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.308 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.8 mt -116.42 126.6 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.963 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.82 -165.17 1.18 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.9 t -90.0 -38.83 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.825 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -67.85 -39.0 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -69.14 -51.15 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.95 0.405 . . . . 0.0 110.061 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -61.63 -36.25 80.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.177 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.97 98.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.144 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.8 m -59.2 -51.4 70.13 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.972 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.536 ' CG2' ' NZ ' ' A' ' 21' ' ' LYS . 79.4 t -61.38 -43.12 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.085 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.9 mt -60.15 -44.54 95.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -65.53 -21.73 66.64 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.983 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -94.59 19.69 9.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.332 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -109.19 10.87 25.75 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.45 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 3.1 t70 77.88 23.33 0.78 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.421 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -152.62 154.74 35.97 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -135.63 77.93 50.95 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -65.61 154.85 71.96 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 123.178 2.585 . . . . 0.0 111.732 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 t -67.62 141.76 56.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.386 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.53 -34.36 72.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.431 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -54.03 -56.78 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.473 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -66.23 -34.62 78.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.919 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.4 -53.22 59.42 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.039 0.447 . . . . 0.0 110.443 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.69 -37.89 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.41 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -66.69 -41.9 87.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.688 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -61.13 -45.81 93.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.785 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.53 -41.77 91.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.1 p -65.78 -33.86 76.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.01 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -59.5 -40.65 87.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.733 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.7 t -87.34 -37.73 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.546 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 36.0 t0 -76.31 94.4 3.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.563 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -42.53 -63.51 0.76 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.47 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' O ' ' C ' ' A' ' 59' ' ' GLY . 4.6 p30 -69.08 12.63 0.14 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 11.59 60.29 0.01 OUTLIER Glycine 0 N--CA 1.476 1.328 0 O-C-N 124.245 0.966 . . . . 0.0 111.218 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.752 ' ND2' ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -87.12 -9.36 55.5 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.696 0.284 . . . . 0.0 110.394 -179.039 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.621 ' N ' HD21 ' A' ' 60' ' ' ASN . . . 94.3 5.38 62.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.752 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 20.7 p -133.89 128.03 33.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.76 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.6 mt -94.9 117.78 39.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.992 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -83.01 158.76 22.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.341 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -45.59 -55.23 6.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.022 0.439 . . . . 0.0 110.625 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -53.37 -36.2 61.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.916 0.389 . . . . 0.0 110.754 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -73.47 -43.89 59.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -59.49 -47.95 83.53 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.272 0.558 . . . . 0.0 110.493 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 73' ' ' ALA . 10.8 mp -62.63 -46.98 85.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.41 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.5 p -55.75 -44.9 78.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.765 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.3 tp -50.86 -58.84 4.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.919 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.6 mtt -79.17 -45.75 19.31 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.879 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 69' ' ' LEU . . . -47.43 -30.3 3.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.75 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -53.39 -70.62 0.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.789 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 76' ' ' VAL . 19.3 pttp 176.34 69.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 75' ' ' LYS . 9.9 p -38.1 157.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.996 0.427 . . . . 0.0 110.173 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 6.0 tppt? -119.9 -39.81 2.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.29 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.496 ' CG ' ' HE ' ' B' ' 38' ' ' ARG . 12.2 t0 83.58 -69.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.582 0.551 . . . . 0.0 110.544 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.8 -72.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.464 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -153.53 166.48 32.59 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.672 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.3 36.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.961 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.589 ' O ' ' N ' ' A' ' 85' ' ' LEU . 95.5 mt-10 -72.28 -68.34 0.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.379 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLU . 60.9 mm-40 -34.76 -39.25 0.09 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.616 0.722 . . . . 0.0 109.985 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -69.33 -46.85 66.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.073 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' A' ' 82' ' ' GLU . 42.2 mt -62.32 -13.8 32.58 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 110.332 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -83.06 -46.58 12.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.572 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.35 -45.86 91.97 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.21 -49.55 75.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.675 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -58.9 -41.62 87.66 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.934 0.397 . . . . 0.0 110.439 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -59.58 -36.51 76.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.386 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.0 t -72.7 -60.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.141 0.496 . . . . 0.0 110.284 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -49.75 -42.12 45.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' A' ' 96' ' ' GLN . 26.2 t0 -88.62 58.86 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.045 179.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.418 ' NZ ' ' CD2' ' A' ' 107' ' ' HIS . 53.1 mtpt -39.38 -58.58 1.21 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 5.4 p30 -63.41 -13.38 39.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.654 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 93' ' ' ASP . 74.4 mt-30 48.57 69.08 0.6 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.507 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.462 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 10.3 m120 -107.83 -1.72 20.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.315 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.36 2.09 62.13 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.615 ' CB ' HE21 ' A' ' 135' ' ' GLN . 1.1 m-85 -145.47 150.69 36.95 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.9 mt -96.98 111.0 26.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 p -84.05 154.73 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.107 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.6 -44.24 80.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.1 p -61.23 -44.82 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.94 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.446 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 37.4 mt-10 -61.31 -53.63 54.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.099 0.476 . . . . 0.0 109.987 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.6 tp -62.35 -21.5 65.36 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.26 0.552 . . . . 0.0 110.429 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -83.3 -40.71 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.983 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.524 ' HD1' ' C ' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -56.91 -52.47 65.05 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 112' ' ' LEU . 10.8 t -60.82 -64.46 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.25 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -32.57 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.532 0.52 . . . . 0.0 111.16 -179.015 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.484 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 10.8 tp -53.22 -44.93 54.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.788 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.484 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 55.7 t30 -69.23 -8.7 48.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.487 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 108' ' ' VAL . 11.1 tp -86.92 18.01 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.825 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.76 -10.71 37.49 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -86.04 141.96 29.09 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -104.49 94.31 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.642 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -108.66 130.58 55.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.252 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.7 p -68.66 172.57 6.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.236 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 45.4 p-10 -72.33 -34.24 67.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -68.8 -39.54 80.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.588 179.76 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.498 ' OE1' ' NH1' ' B' ' 22' ' ' ARG . 6.9 mm-40 -63.61 -46.14 87.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.174 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.52 -47.12 94.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.47 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.64 -22.74 67.05 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.352 0.596 . . . . 0.0 110.383 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -75.45 -57.88 3.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.112 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.546 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 10.1 ttp -55.12 -48.89 73.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 126' ' ' LYS . 4.4 tp -58.8 -42.38 85.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.494 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.458 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 55.4 mttp -69.13 -37.82 78.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.237 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -79.02 -61.95 1.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.195 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -45.19 -30.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.61 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 41.5 t0 -87.28 118.0 26.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.45 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.665 ' H ' ' CD2' ' A' ' 130' ' ' LEU . 1.3 mm? -65.95 -48.43 71.35 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.461 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 13.3 p-10 -92.97 -5.42 50.74 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.091 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.53 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 67.43 -125.65 23.98 Favored Glycine 0 C--O 1.225 -0.411 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 132' ' ' GLY . 1.7 m-20 79.73 8.95 1.57 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.765 0.317 . . . . 0.0 110.492 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.41 13.19 49.1 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.615 HE21 ' CB ' ' A' ' 99' ' ' TYR . 51.7 tt0 -144.72 136.73 25.96 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.7 t -113.2 126.44 70.62 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.206 0.527 . . . . 0.0 110.431 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -91.84 150.0 21.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.569 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -44.64 -40.32 5.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.298 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.47 -51.45 69.81 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.414 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.443 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 91.0 mt-10 -60.88 -39.68 90.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.059 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -59.23 -50.98 71.95 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.688 0.756 . . . . 0.0 110.093 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.75 -42.32 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.772 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -56.27 -38.3 70.99 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.648 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.9 ttt -62.64 -40.35 96.74 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.97 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 16.0 mmm -78.9 -15.19 58.65 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.581 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 53.8 mtt . . . . . 0 CA--C 1.514 -0.414 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.312 -179.422 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 74.6 ttt-85 -59.51 -47.37 85.8 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.128 0.49 . . . . 0.0 110.586 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -68.0 -36.28 79.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.352 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.498 ' NH1' ' OE1' ' A' ' 120' ' ' GLU . 34.6 ttm180 -61.96 -44.43 96.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.546 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 0.5 OUTLIER -60.14 -47.91 83.92 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.367 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -65.86 -34.57 78.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.705 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.0 t -61.83 -44.44 96.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.834 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.58 ' HG ' ' N ' ' B' ' 27' ' ' VAL . 20.4 p -61.18 -42.83 99.27 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.148 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.58 ' N ' ' HG ' ' B' ' 26' ' ' SER . 88.0 t -68.89 -42.11 82.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.401 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.518 ' HG ' ' N ' ' B' ' 29' ' ' ILE . 68.1 p -67.46 -45.95 74.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.247 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.518 ' N ' ' HG ' ' B' ' 28' ' ' SER . 81.5 mt -61.64 -41.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.7 t -60.62 -44.43 96.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.031 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -62.66 -40.07 95.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.234 -0.586 . . . . 0.0 109.96 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.56 -38.28 80.63 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.343 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.526 ' HE ' ' CG ' ' A' ' 11' ' ' ASP . 2.6 ttm180 -64.4 -43.64 93.8 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.824 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.528 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 40.06 61.45 1.5 Allowed 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -74.87 29.42 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.188 0.518 . . . . 0.0 109.964 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.528 ' H ' ' C ' ' B' ' 34' ' ' ALA . 25.7 ttm180 -148.93 -7.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.124 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.479 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.3 m-85 67.09 51.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.322 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.496 ' HE ' ' CG ' ' A' ' 78' ' ' ASP . 43.6 mtm-85 -50.35 -36.43 32.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.412 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 7.7 tpt -62.97 -70.27 0.22 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 110.932 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -62.82 -43.33 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.607 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 35.4 t -53.55 -45.54 69.91 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.224 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -64.82 -40.28 94.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.267 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.238 179.919 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 121.05 0.453 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 42.0 mp0 -55.97 -22.06 24.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.402 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.2 -54.62 38.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 4.9 mp0 -48.54 -39.29 22.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 1.5 mp -69.66 -43.22 80.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.357 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.7 t -61.63 -49.85 82.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.17 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.02 -48.87 78.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.021 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.8 -42.29 88.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.359 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -64.74 -35.12 80.03 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.415 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.66 -49.53 77.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.258 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.08 84.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -60.11 -51.1 71.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.581 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.69 -31.14 74.24 Favored Glycine 0 N--CA 1.453 -0.172 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.64 -52.61 62.65 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.242 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -29.97 69.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.971 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -94.76 81.55 3.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.624 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.4 -16.16 61.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.616 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 1.9 p30 -112.63 26.99 10.02 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.741 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 21.75 61.49 0.02 OUTLIER Glycine 0 C--N 1.34 0.753 0 O-C-N 123.785 0.678 . . . . 0.0 111.897 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 53.1 m-20 -89.91 -27.65 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.102 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.13 -1.98 28.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.4 p -159.96 165.91 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.626 0.25 . . . . 0.0 110.379 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 52.8 mt -109.55 111.8 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -168.06 1.56 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.9 t -81.4 -50.23 16.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.39 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -62.1 -45.01 95.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.172 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -53.79 -48.06 70.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.652 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -61.91 -41.86 98.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.496 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.25 -51.95 66.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.359 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.4 m -56.18 -47.86 77.47 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.053 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.83 -44.08 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.113 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 40' ' ' ASP . 66.6 mt -62.36 -42.94 97.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.204 179.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.519 ' O ' ' O ' ' A' ' 40' ' ' ASP . 61.1 ttm-85 -51.55 -57.64 8.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.051 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 t -62.72 -40.79 98.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.955 0.407 . . . . 0.0 110.106 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 37.5 tp -77.22 -3.49 39.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.982 0.896 . . . . 0.0 110.026 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 36' ' ' ILE . 29.5 t0 -158.12 -140.97 0.08 Allowed 'General case' 0 C--N 1.311 -1.072 0 O-C-N 121.51 -0.744 . . . . 0.0 110.589 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.535 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 97.9 mm-40 -107.69 -87.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.143 0.497 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -168.76 63.23 0.53 Allowed Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.758 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.91 140.42 66.48 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.58 2.186 . . . . 0.0 111.65 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.1 t -51.23 133.53 28.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.204 0.526 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -52.14 -19.75 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.431 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -61.69 -44.94 95.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.722 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -67.0 -30.76 70.96 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.375 0.607 . . . . 0.0 110.455 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.6 mt -75.71 -45.78 34.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.975 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -69.06 -23.68 64.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.091 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.49 -57.01 6.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.577 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -66.58 -37.65 85.36 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.682 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.7 mm -72.46 -13.11 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.727 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -91.75 -36.05 13.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.145 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.6 -40.09 96.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.993 0.425 . . . . 0.0 111.367 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.9 t -84.52 -11.74 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.94 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -80.2 99.38 7.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.695 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.77 3.97 46.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.764 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -129.14 21.61 5.74 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.825 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.1 39.47 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.582 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 52.0 p-10 -87.76 -27.23 22.47 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 121.2 -0.2 . . . . 0.0 110.636 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 87.09 9.13 74.17 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.483 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 22.4 p -134.11 160.75 36.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.916 0.388 . . . . 0.0 110.463 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.5 mt -109.59 131.12 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.084 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.556 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 52.6 mp0 -107.22 160.04 15.89 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.221 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -44.68 -48.56 10.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.694 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.544 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 15.5 p-10 -60.85 -34.7 75.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.067 0.46 . . . . 0.0 110.298 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' OD1' ' A' ' 58' ' ' ASP . 92.6 mt-10 -77.27 -43.61 32.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.592 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.4 -45.61 93.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.865 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.39 -46.35 89.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.182 0.515 . . . . 0.0 109.938 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.2 t -60.67 -41.61 95.41 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.212 0.529 . . . . 0.0 110.8 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.8 tp -56.71 -53.12 61.37 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.462 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.517 ' O ' ' O ' ' A' ' 75' ' ' LYS . 11.2 mmt -70.79 -38.81 73.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.9 -32.02 8.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.523 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -81.12 -40.2 24.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.631 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.517 ' O ' ' O ' ' A' ' 72' ' ' MET . 13.6 mptt -88.43 144.84 26.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.036 0.446 . . . . 0.0 109.886 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 t 68.43 40.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.504 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -158.38 109.76 2.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.898 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 77.57 21.44 1.0 Allowed 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.79 0.681 . . . . 0.0 110.453 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.8 p -62.42 -83.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.675 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -175.03 149.68 1.12 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.389 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.51 -54.87 14.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.737 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -54.56 -20.78 8.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.648 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -79.0 -58.14 3.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.164 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.51 -35.21 77.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.42 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.72 -41.85 95.67 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -80.91 -39.41 26.31 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.262 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 87' ' ' GLU . 9.8 tm-20 -61.19 -39.66 91.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.23 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.95 -59.1 4.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.834 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -55.03 -31.82 61.39 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.353 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.405 ' HA ' HE22 ' A' ' 96' ' ' GLN . 65.8 tttm -64.0 -39.91 95.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.428 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.4 t -73.54 -47.32 45.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.134 0.493 . . . . 0.0 111.126 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -63.4 -49.37 74.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.695 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 96' ' ' GLN . 21.5 t0 -77.37 62.03 2.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.978 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -43.92 -58.39 2.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.405 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 0.5 OUTLIER -71.36 3.68 3.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 111.005 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' ASP . 65.8 mm-40 46.09 25.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.016 0.436 . . . . 0.0 110.579 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.3 p-10 -65.71 -7.04 13.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.78 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.428 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 88.46 -0.09 82.8 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -136.7 140.9 43.01 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.8 mt -95.84 117.83 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.091 0.472 . . . . 0.0 110.073 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 t -88.19 145.98 25.62 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.77 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.11 -45.93 44.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.225 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.5 t -59.86 -43.17 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 110.38 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.405 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 44.3 mt-10 -63.83 -51.04 66.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.169 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 tp -65.61 -26.85 68.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.896 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.438 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.6 ttm180 -78.34 -44.03 26.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.099 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -55.93 -49.7 72.77 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.588 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 109' ' ' MET . 55.1 t -62.88 -62.38 1.21 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.914 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -31.72 -71.17 0.06 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.799 0.333 . . . . 0.0 110.984 -178.862 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.511 ' C ' ' H ' ' A' ' 112' ' ' LEU . 16.6 tt -53.14 -44.3 51.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.533 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.418 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 62.2 t30 -48.23 -11.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.634 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.553 ' O ' ' NH2' ' B' ' 33' ' ' ARG . 74.9 mt -86.97 12.9 10.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.222 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.03 5.48 75.92 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -93.33 138.25 31.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.811 0.339 . . . . 0.0 110.432 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -84.58 93.43 8.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.413 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 4.3 mm? -97.61 129.97 44.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.446 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.496 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 7.7 p -90.86 162.14 14.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.246 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.77 -33.97 77.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.342 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.16 -47.44 74.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.614 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.496 ' H ' ' HG1' ' A' ' 117' ' ' THR . 98.1 mt-10 -60.0 -43.71 95.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.577 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.438 HG11 ' HE ' ' A' ' 106' ' ' ARG . 90.1 t -62.36 -43.83 98.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.576 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -67.26 -24.41 65.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.542 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.15 -59.19 2.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.052 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.623 ' SD ' ' N ' ' A' ' 125' ' ' ILE . 3.7 ppp? -58.06 -43.47 86.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.623 ' N ' ' SD ' ' A' ' 124' ' ' MET . 3.5 tp -62.8 -36.96 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-O 121.084 0.469 . . . . 0.0 110.174 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -63.67 -39.59 94.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.231 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -75.49 -46.49 32.04 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.456 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -61.47 -39.99 92.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.081 0.467 . . . . 0.0 110.278 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 54.0 t0 -79.23 105.82 10.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.075 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.82 -43.3 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.191 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 10.0 p30 -89.12 1.96 54.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.633 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 45.4 33.51 4.33 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.511 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.1 p-10 -71.21 -11.23 60.82 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.617 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.28 6.28 57.74 Favored Glycine 0 N--CA 1.465 0.586 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -148.8 160.35 43.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.837 0.351 . . . . 0.0 110.348 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.11 125.49 72.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.367 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.625 HD21 ' N ' ' A' ' 137' ' ' ASN . 0.6 OUTLIER -91.42 172.92 8.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.315 179.45 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -59.43 -40.34 86.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.421 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -60.29 -54.48 45.18 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.048 0.451 . . . . 0.0 110.698 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -60.45 -34.85 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.262 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.45 -46.46 89.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.65 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.6 t -59.8 -45.65 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.261 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -59.92 -38.03 81.16 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.808 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 74.9 mmm -67.91 -30.39 69.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.15 0.5 . . . . 0.0 110.381 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.7 mmt -74.09 -29.34 61.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.197 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.2 mmm . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.8 -179.66 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.489 ' NH1' HE21 ' B' ' 21' ' ' GLN . 7.2 ptm180 -60.14 -36.53 77.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.318 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.489 HE21 ' NH1' ' B' ' 20' ' ' ARG . 92.2 mm-40 -64.84 -41.65 95.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.542 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -62.36 -38.6 90.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.456 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 3.0 m95 -66.45 -51.08 60.67 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-O 121.204 0.526 . . . . 0.0 110.136 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -65.82 -36.81 84.55 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.145 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 68.9 m -60.19 -44.47 95.08 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.111 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -60.16 -44.35 95.07 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.231 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.66 -41.06 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.466 0.65 . . . . 0.0 110.523 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.45 ' HG ' ' N ' ' B' ' 29' ' ' ILE . 44.0 p -71.22 -36.61 71.93 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.079 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.45 ' N ' ' HG ' ' B' ' 28' ' ' SER . 57.2 mt -66.3 -44.07 91.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.562 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -36.67 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 C-N-CA 120.496 -0.481 . . . . 0.0 109.895 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -69.98 -47.19 63.23 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.644 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -69.53 -34.67 74.57 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.042 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.553 ' NH2' ' O ' ' A' ' 112' ' ' LEU . 49.9 ttm-85 -60.9 -52.16 66.21 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 22.66 48.41 0.01 OUTLIER 'General case' 0 C--N 1.349 0.553 0 O-C-N 124.13 0.894 . . . . 0.0 111.255 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' B' ' 33' ' ' ARG . 70.8 ttt-85 -55.15 -8.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.145 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.522 ' H ' ' C ' ' B' ' 34' ' ' ALA . 10.4 ptp85 -111.22 8.34 21.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.823 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.416 ' O ' ' CB ' ' B' ' 41' ' ' SER . 2.4 m-85 47.36 78.69 0.07 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.256 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -59.95 -32.91 71.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.398 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' MET . . . . . 0.427 ' O ' ' N ' ' B' ' 43' ' ' LEU . 6.5 tpt -68.12 -60.63 2.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.25 0.548 . . . . 0.0 110.702 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.421 HG23 HD13 ' B' ' 40' ' ' ILE . 89.2 mt -63.41 -42.57 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.353 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 46.8 t -58.59 -44.02 89.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.337 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.524 ' O ' ' C ' ' B' ' 43' ' ' LEU . 25.2 t-20 -90.06 -6.38 55.57 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 118.784 -0.627 . . . . 0.0 111.211 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 117.588 -1.196 . . . . 0.0 111.353 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 m . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 43.2 mp0 -55.77 -27.27 50.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.279 -179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 7' ' ' GLU . 46.8 mp0 -49.44 -61.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.989 0.423 . . . . 0.0 110.376 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -49.15 -45.77 44.25 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.789 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.494 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 1.3 mp -64.64 -41.22 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.213 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 t -58.91 -49.51 82.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.949 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.58 -52.26 65.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.277 0.561 . . . . 0.0 110.144 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -62.48 -43.63 98.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.921 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -60.56 -36.01 77.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.387 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -60.45 -51.08 71.01 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.874 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.05 78.2 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.272 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.26 -49.3 76.5 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.168 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.09 -36.96 57.6 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.63 -49.55 76.12 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.535 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.445 ' CE2' ' CD1' ' B' ' 37' ' ' PHE . 3.4 m-85 -60.28 -38.06 82.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.263 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 53.1 t0 -96.35 76.53 2.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -61.32 -38.28 86.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.165 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 23' ' ' GLY . 21.4 p-10 -86.15 32.0 0.63 Allowed 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.82 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.512 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 13.76 60.13 0.01 OUTLIER Glycine 0 C--N 1.351 1.393 0 O-C-N 124.179 0.924 . . . . 0.0 111.555 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 50.9 p-10 -88.49 -26.41 22.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 110.369 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.516 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.65 14.03 15.14 Favored Glycine 0 N--CA 1.467 0.721 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.5 p -166.32 170.25 13.29 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.44 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.417 HG22 HD11 ' A' ' 27' ' ' ILE . 63.9 mt -113.92 115.94 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -83.94 -177.91 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.15 0.5 . . . . 0.0 110.972 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -81.49 -47.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.562 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.94 -42.71 97.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 42.0 mt-10 -61.62 -47.13 86.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.473 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -59.89 -37.62 79.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.107 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.91 79.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.653 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.2 m -60.44 -46.23 90.79 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.237 0.542 . . . . 0.0 110.529 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.71 -45.44 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.363 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' ASP . 78.7 mt -57.09 -42.43 79.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.686 -0.406 . . . . 0.0 109.932 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -66.83 -23.41 66.04 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.188 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.4 p -74.13 -39.3 63.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.065 0.46 . . . . 0.0 110.859 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 1.6 pp -95.03 14.73 20.88 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.875 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 13.2 t0 87.7 165.36 0.07 Allowed 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 123.878 0.736 . . . . 0.0 109.319 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 27.4 tt0 86.03 133.61 0.04 OUTLIER 'General case' 0 C--O 1.225 -0.192 0 O-C-N 123.84 0.712 . . . . 0.0 109.982 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -132.2 74.51 76.16 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -76.46 149.04 30.47 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.41 HG21 ' H ' ' A' ' 47' ' ' GLU . 9.6 t -58.44 142.97 47.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.158 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -58.84 -26.7 64.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.43 -42.93 74.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.561 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.41 ' H ' HG21 ' A' ' 44' ' ' THR . 95.8 mt-10 -69.82 -28.7 65.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.545 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt -74.94 -50.29 17.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.027 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -64.33 -37.3 87.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.258 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -65.0 -45.63 84.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 41.9 ttm -57.84 -48.8 78.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.954 0.407 . . . . 0.0 110.283 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.54 -42.63 90.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 t -64.57 -43.57 93.46 Favored 'General case' 0 C--N 1.316 -0.871 0 O-C-N 124.016 0.823 . . . . 0.0 111.074 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -58.5 -41.68 85.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.291 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.16 44.72 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.068 0.461 . . . . 0.0 110.72 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -101.13 107.86 19.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.771 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.07 -14.75 43.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 60' ' ' ASN . 2.9 m-20 -121.43 14.37 11.14 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.53 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.54 26.79 0.01 OUTLIER Glycine 0 C--N 1.343 0.931 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' A' ' 58' ' ' ASP . 19.5 p-10 -82.23 -33.2 29.39 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.795 -178.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.52 9.97 24.26 Favored Glycine 0 N--CA 1.466 0.674 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.524 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 7.1 p -138.53 156.17 47.75 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.915 0.388 . . . . 0.0 110.39 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.7 mt -95.02 123.86 47.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.279 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -86.64 159.92 19.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.916 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -45.82 -51.62 12.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 110.497 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -60.11 -37.3 79.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.881 0.372 . . . . 0.0 110.152 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -71.5 -49.58 39.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.799 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -56.78 -44.45 81.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.145 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.28 -50.85 71.37 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.552 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.4 m -62.38 -43.54 98.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.06 0.457 . . . . 0.0 110.825 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.21 -52.82 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -37.52 81.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.925 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.08 -28.16 37.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.572 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -71.84 -53.0 14.65 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.998 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 76' ' ' VAL . 1.7 tttp -43.85 -82.29 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.6 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.505 ' C ' ' O ' ' A' ' 75' ' ' LYS . 21.7 t -4.89 119.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 O-C-N 124.846 1.341 . . . . 0.0 111.201 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.582 ' O ' ' NZ ' ' B' ' 31' ' ' LYS . 3.3 mmtm 171.8 -117.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.507 0.504 . . . . 0.0 109.654 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.444 ' O ' ' OG1' ' A' ' 79' ' ' THR . 64.5 t0 -173.48 -92.17 0.01 OUTLIER 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 78' ' ' ASP . 3.1 p 63.74 -57.5 0.2 Allowed 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.256 0.348 . . . . 0.0 110.997 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.444 ' N ' ' OG1' ' A' ' 79' ' ' THR . 94.5 m-20 -90.0 108.72 19.89 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.31 0.576 . . . . 0.0 110.664 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.07 -55.61 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.224 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 80.2 mm-40 -55.19 -22.86 19.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -77.12 -60.44 2.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -66.94 -35.11 79.24 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.684 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp -65.89 -40.64 91.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.082 0.468 . . . . 0.0 110.968 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 69.0 mmtt -82.6 -47.34 12.21 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.052 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -57.8 -42.41 84.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.091 0.472 . . . . 0.0 109.814 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.75 -55.02 38.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.707 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -62.64 -27.91 69.54 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.411 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.456 ' HA ' HE22 ' A' ' 96' ' ' GLN . 87.4 tttt -65.11 -41.7 94.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.8 t -76.31 -44.86 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.013 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.4 -48.87 79.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.141 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.579 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 39.2 t0 -85.5 60.49 6.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.732 -0.387 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -41.33 -56.96 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.444 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.475 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -66.96 -6.56 17.26 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.802 -179.301 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' A' ' 93' ' ' ASP . 99.6 mm-40 43.96 48.62 7.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.685 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -87.78 -3.46 58.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.357 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.97 -0.75 60.72 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 13.3 m-85 -144.19 149.06 35.82 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 120.669 0.271 . . . . 0.0 110.601 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.0 mt -95.41 111.36 25.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.69 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.7 m -84.53 147.96 26.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.74 45.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.369 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.3 t -58.61 -41.67 86.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.387 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.475 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 51.4 mt-10 -65.05 -51.65 60.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.422 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.7 tp -66.78 -27.16 67.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.379 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.522 ' NH2' ' OD1' ' A' ' 118' ' ' ASP . 72.9 ttt180 -80.44 -42.17 23.14 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -57.86 -50.0 74.77 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.922 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 109' ' ' MET . 47.2 t -62.67 -63.06 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.716 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' VAL . 5.4 tpt -32.85 -72.85 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.038 0.447 . . . . 0.0 111.38 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.56 ' C ' ' H ' ' A' ' 112' ' ' LEU . 19.6 tt -52.42 -45.6 45.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.921 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.467 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 47.7 t30 -50.33 -8.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.719 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.56 ' H ' ' C ' ' A' ' 110' ' ' ILE . 70.2 mt -105.65 -157.46 0.61 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.208 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -97.64 52.42 1.32 Allowed Glycine 0 CA--C 1.52 0.37 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.401 ' OE1' ' CE ' ' A' ' 109' ' ' MET . 39.5 tt0 -159.08 111.5 2.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -106.69 109.46 21.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.847 0.356 . . . . 0.0 111.356 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.08 140.85 48.72 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.649 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.446 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 68.6 p -63.06 170.82 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.029 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.522 ' OD1' ' NH2' ' A' ' 106' ' ' ARG . 99.1 m-20 -67.68 -23.74 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.3 mp0 -70.47 -45.08 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.755 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 6.9 mp0 -70.2 -43.77 70.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.433 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.39 -46.9 95.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.194 0.521 . . . . 0.0 110.144 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -65.53 -31.12 72.01 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.096 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -61.82 -55.18 32.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.429 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.608 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 11.6 ttp -56.1 -43.43 78.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.342 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.9 mm -58.32 -38.27 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.129 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -81.5 -27.37 34.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.987 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -85.47 -65.93 0.96 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.931 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -46.52 -37.3 7.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.527 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.486 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 51.1 t0 -76.44 122.11 24.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.005 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 130' ' ' LEU . 3.8 mm? -66.2 -48.52 70.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.665 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 11.9 p-10 -97.59 -2.35 41.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.486 ' O ' ' OD2' ' A' ' 129' ' ' ASP . . . 61.81 -117.39 11.38 Favored Glycine 0 C--O 1.223 -0.54 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 2.5 m-20 80.78 -19.16 0.45 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.785 0.326 . . . . 0.0 110.437 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.53 7.57 53.71 Favored Glycine 0 N--CA 1.464 0.533 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.48 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 13.2 mt-30 -147.83 149.21 31.89 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.999 0.428 . . . . 0.0 110.43 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.9 t -116.85 126.07 74.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.15 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.929 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.555 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 17.0 t-20 -87.49 154.63 20.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.656 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -47.08 -43.77 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.258 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -59.99 -49.38 77.9 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.442 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.454 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 92.4 mt-10 -61.72 -39.68 92.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.942 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -61.37 -48.4 81.42 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.96 -46.89 91.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.081 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -61.08 -32.07 71.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.0 tpt -71.24 -35.03 71.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 110.929 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.0 mmm -75.42 -24.36 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.149 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.6 mtp . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 121.071 0.462 . . . . 0.0 110.789 179.675 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.412 ' H3 ' ' H ' ' B' ' 20' ' ' ARG . . . . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.463 ' NH1' ' NH2' ' B' ' 24' ' ' ARG . 47.2 ptt85 -60.67 -39.14 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.478 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.414 ' O ' ' OG ' ' B' ' 25' ' ' SER . 75.5 mt-30 -65.24 -38.56 90.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.345 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -59.8 -44.57 93.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.099 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.608 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 3.4 m95 -59.96 -50.07 75.2 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.226 0.536 . . . . 0.0 110.019 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.463 ' NH2' ' NH1' ' B' ' 20' ' ' ARG . 87.9 mtm180 -65.8 -36.28 83.06 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.929 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 60.9 m -60.45 -45.09 94.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.145 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.502 ' HG ' ' H ' ' B' ' 27' ' ' VAL . 85.9 p -59.31 -44.84 92.51 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.088 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.502 ' H ' ' HG ' ' B' ' 26' ' ' SER . 97.4 t -68.43 -42.33 83.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.086 0.469 . . . . 0.0 110.327 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 37.9 t -62.53 -42.64 99.66 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.824 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.81 -41.76 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.26 -42.19 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.582 ' NZ ' ' O ' ' A' ' 77' ' ' LYS . 18.8 ttmt -59.24 -43.46 92.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.517 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -65.23 -41.17 94.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.331 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.598 ' O ' ' N ' ' B' ' 35' ' ' ARG . 58.2 ttp180 -68.14 -46.42 70.86 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.561 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 55.79 -73.91 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 123.394 0.434 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.598 ' N ' ' O ' ' B' ' 33' ' ' ARG . 64.9 ttt180 69.39 -37.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.567 0.542 . . . . 0.0 110.222 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.561 ' H ' ' C ' ' B' ' 34' ' ' ALA . 71.1 ttt180 -92.99 -10.64 35.58 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.163 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.516 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.5 m-85 70.44 64.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.146 0.498 . . . . 0.0 110.155 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.417 ' CB ' ' NZ ' ' A' ' 75' ' ' LYS . 76.4 mtp85 -51.38 -41.72 60.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.025 0.44 . . . . 0.0 110.351 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' MET . . . . . 0.497 ' SD ' ' C ' ' B' ' 39' ' ' MET . 0.4 OUTLIER -63.77 -65.04 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 -179.327 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.03 -43.27 98.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.717 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 96.2 p -54.91 -42.41 72.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.18 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -65.23 -40.98 94.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.401 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.412 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.431 ' HG ' ' H ' ' A' ' 7' ' ' GLU . 45.8 t . . . . . 0 C--O 1.224 -0.255 0 CA-C-O 120.713 0.292 . . . . 0.0 110.759 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -58.22 -22.11 50.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.509 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.431 ' H ' ' HG ' ' A' ' 5' ' ' SER . 95.5 mt-10 -56.6 -58.48 7.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.231 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.48 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -47.15 -41.8 18.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -179.812 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.48 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 4.8 mm -66.07 -42.56 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.229 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.8 t -59.02 -48.25 87.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.978 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -57.9 -53.73 54.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.123 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -60.38 -42.89 96.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.194 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -64.99 -37.13 86.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.652 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -58.54 -51.45 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.191 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.34 89.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.293 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -60.13 -49.79 76.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.39 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.92 -32.44 75.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 tt -64.64 -51.93 60.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.536 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CE2' ' CD1' ' B' ' 37' ' ' PHE . 0.9 OUTLIER -52.02 -25.91 9.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 -179.36 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 35.2 t0 -109.71 89.91 3.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.418 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -63.39 -29.24 70.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.13 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.585 ' O ' ' C ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -97.91 31.98 2.51 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 -179.617 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.585 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.46 66.56 0.01 OUTLIER Glycine 0 N--CA 1.469 0.835 0 O-C-N 123.584 0.553 . . . . 0.0 111.778 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 22' ' ' ASP . 74.6 m-20 -88.61 -24.52 22.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.73 9.03 23.67 Favored Glycine 0 N--CA 1.465 0.616 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 26' ' ' CYS . 23.4 p -169.58 124.8 0.83 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.789 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.8 mt -76.25 131.29 35.16 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.5 m -106.48 156.74 18.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.611 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.2 t -51.35 -43.56 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.217 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.46 -59.52 5.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.423 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 82.0 mt-10 -55.38 -42.05 73.48 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.0 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.97 -36.48 83.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.237 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.64 87.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.9 m -58.59 -47.28 84.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.521 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.6 t -62.44 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.723 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.8 mt -61.54 -44.43 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.738 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -63.68 -32.6 74.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.085 0.469 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 p -54.43 -17.67 3.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.496 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.499 ' C ' ' H ' ' A' ' 41' ' ' GLN . 5.8 mp -89.32 24.05 2.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.545 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 73.25 -16.4 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.514 0.509 . . . . 0.0 110.743 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.499 ' H ' ' C ' ' A' ' 39' ' ' LEU . 99.2 mm-40 -72.07 162.32 29.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.551 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.611 HD21 ' H ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -149.14 67.02 8.91 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.602 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -79.07 165.16 24.24 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.846 2.364 . . . . 0.0 111.932 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.402 HG23 ' H ' ' A' ' 47' ' ' GLU . 5.1 t -87.09 149.14 24.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.474 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.25 -20.7 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.747 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -62.86 -44.36 96.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' H ' HG23 ' A' ' 44' ' ' THR . 96.0 mt-10 -71.07 -26.58 63.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.704 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.5 mt -80.56 -44.77 18.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.086 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.74 -29.15 65.31 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.869 0.366 . . . . 0.0 110.142 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.86 -56.76 6.21 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 52' ' ' ILE . 0.5 OUTLIER -63.16 -33.77 76.18 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.884 0.373 . . . . 0.0 110.857 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 51' ' ' MET . 84.0 mt -74.76 -25.04 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.327 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.551 ' C ' ' H ' ' A' ' 55' ' ' VAL . 46.0 t -89.06 -30.31 18.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.54 -0.89 0.19 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.483 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.551 ' H ' ' C ' ' A' ' 53' ' ' SER . 2.0 t -139.8 -52.01 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 66.7 t0 -48.89 87.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.614 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -42.49 -73.63 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.82 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.488 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.8 p30 -60.05 4.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.614 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 27.65 64.32 0.09 OUTLIER Glycine 0 C--N 1.341 0.828 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' OD1' ' O ' ' A' ' 62' ' ' THR . 48.0 p30 -102.16 27.78 6.38 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.758 0.314 . . . . 0.0 110.366 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 45.79 16.54 0.13 Allowed Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.475 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 52.8 p -137.75 134.11 34.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.771 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.5 mt -104.31 129.31 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.346 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -93.41 158.74 15.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.566 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -44.52 -49.45 10.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.444 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.9 -37.16 81.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.263 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -73.54 -44.96 56.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.593 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -58.77 -43.71 90.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.231 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.84 -45.57 93.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.017 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 p -67.72 -42.41 81.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.787 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.08 -43.2 96.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.0 tpt -63.79 -48.85 75.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.557 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -65.47 -42.27 92.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.563 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -65.73 12.39 0.06 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.557 ' H ' ' C ' ' A' ' 73' ' ' ALA . 2.9 ttmp? -159.03 48.35 0.33 Allowed 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 119.302 -0.38 . . . . 0.0 110.263 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 77' ' ' LYS . 1.0 OUTLIER 164.74 145.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.049 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 152.63 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.343 0.308 0 O-C-N 124.459 1.1 . . . . 0.0 109.373 178.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.496 ' O ' ' OG1' ' A' ' 79' ' ' THR . 72.6 m-20 -152.67 -70.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.816 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 78' ' ' ASP . 7.4 p 62.61 -139.74 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.437 0.461 . . . . 0.0 111.424 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.66 155.81 35.4 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.818 0.818 . . . . 0.0 110.984 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.78 -52.26 9.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.808 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.92 -21.82 63.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.712 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -77.09 -52.67 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -73.69 -34.07 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.639 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.3 -32.61 70.45 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.616 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -84.42 -45.24 12.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.594 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.458 ' OE1' ' NH2' ' B' ' 38' ' ' ARG . 73.1 mm-40 -60.32 -42.01 94.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.181 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.95 -54.65 38.8 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.55 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 56.1 t80 -58.2 -33.2 69.03 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.168 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.546 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 62.5 tttp -63.09 -37.98 89.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.48 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -75.34 -54.45 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 0.0 110.694 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -51.59 -45.86 63.32 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.703 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.564 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 12.3 m-20 -84.24 60.66 6.08 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -40.95 -58.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.392 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 9.5 p30 -69.0 -3.73 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.144 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.564 ' NE2' ' O ' ' A' ' 93' ' ' ASP . 98.5 mm-40 46.07 48.97 12.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.71 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.51 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 30.6 p30 -86.3 -4.37 59.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.496 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 99' ' ' TYR . . . 94.71 -3.05 67.6 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 4.8 m-85 -141.66 147.49 37.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.558 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 mt -93.27 113.88 28.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.272 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -92.35 153.03 19.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.403 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.35 -43.12 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.397 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.8 t -59.54 -42.42 92.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.285 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 65.9 mt-10 -66.22 -54.14 28.69 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.119 0.485 . . . . 0.0 110.583 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.6 tp -61.67 -25.34 67.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.428 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -78.95 -47.92 15.48 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.37 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -51.62 -53.74 35.28 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.689 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 109' ' ' MET . 38.7 t -60.51 -66.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.379 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.491 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.4 tpt -29.77 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.863 0.363 . . . . 0.0 111.251 -178.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.564 ' C ' ' H ' ' A' ' 112' ' ' LEU . 9.5 tp -49.26 -45.96 18.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.015 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.458 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 64.3 t30 -50.5 -8.47 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.617 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.564 ' H ' ' C ' ' A' ' 110' ' ' ILE . 72.9 mt -93.52 -112.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.622 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -155.05 48.89 0.49 Allowed Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -135.8 126.17 26.65 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.798 0.333 . . . . 0.0 110.531 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -89.6 98.74 11.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.367 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 55.9 mt -126.07 137.22 53.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.726 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.8 p -81.51 171.91 14.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.473 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 42.2 p-10 -62.65 -25.69 68.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.416 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.5 mt-10 -69.69 -42.41 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.078 0.465 . . . . 0.0 110.665 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.99 -42.48 66.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.744 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.34 -51.73 55.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.029 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.81 -29.95 70.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.122 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -66.11 -53.81 33.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.517 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.514 ' SD ' ' NE1' ' B' ' 23' ' ' TRP . 1.7 tmm? -52.31 -57.66 9.08 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 120.893 0.377 . . . . 0.0 111.088 -178.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.432 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 11.2 tt -52.52 -40.35 32.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.558 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -64.41 -39.23 93.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.646 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.86 -45.91 66.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.468 ' HB3' ' HE1' ' B' ' 23' ' ' TRP . . . -58.57 -36.42 73.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.271 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 43.8 m-20 -67.84 105.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.03 0.443 . . . . 0.0 110.19 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.2 mt -76.97 -39.87 48.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.188 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.433 ' OD1' ' OD2' ' A' ' 133' ' ' ASP . 16.1 p30 -93.47 -1.57 55.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.052 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.422 ' O ' ' OD1' ' A' ' 133' ' ' ASP . . . 56.04 104.73 0.01 OUTLIER Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.433 ' OD2' ' OD1' ' A' ' 131' ' ' ASP . 31.6 m-20 -148.4 12.4 0.92 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.756 0.313 . . . . 0.0 110.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.02 -5.32 13.7 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.409 ' H ' ' C ' ' A' ' 133' ' ' ASP . 3.0 pt20 -153.39 132.99 12.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.137 0.494 . . . . 0.0 110.536 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.9 t -80.07 126.91 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.521 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -90.58 159.69 16.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.6 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -51.14 -40.24 58.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.379 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -62.78 -50.64 70.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.892 0.377 . . . . 0.0 110.549 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.55 -37.73 87.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.171 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.542 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 64.4 t80 -60.57 -46.72 89.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.288 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.86 -45.63 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.162 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -63.57 -34.98 79.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.938 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -66.53 -30.35 70.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.542 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 23.5 mtp -90.66 -18.86 24.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.474 -178.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 39.3 mtt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.837 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.588 ' HE ' ' NH2' ' B' ' 24' ' ' ARG . 41.8 ttp-105 -60.76 -47.09 87.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' B' ' 25' ' ' SER . 86.3 mt-30 -71.32 -37.37 71.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -45.61 92.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.654 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.514 ' NE1' ' SD ' ' A' ' 124' ' ' MET . 2.7 m95 -65.06 -47.17 78.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.113 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.588 ' NH2' ' HE ' ' B' ' 20' ' ' ARG . 88.6 mtm180 -65.66 -34.84 79.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.92 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.407 ' N ' ' O ' ' B' ' 21' ' ' GLN . 40.9 t -60.74 -46.82 88.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.2 t -61.58 -41.25 97.15 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.345 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t -66.19 -46.0 88.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.757 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.0 m -69.39 -43.12 74.15 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.007 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.59 -42.4 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.0 -43.16 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.185 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -62.96 -45.39 92.67 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.567 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -65.94 -36.83 84.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.217 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' B' ' 34' ' ' ALA . 59.0 ttm-85 -60.96 -54.88 39.55 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.009 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.555 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 25.72 50.34 0.02 OUTLIER 'General case' 0 C--N 1.343 0.291 0 O-C-N 123.628 0.58 . . . . 0.0 111.146 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -58.56 -2.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.039 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.555 ' H ' ' C ' ' B' ' 34' ' ' ALA . 33.6 mmt180 -111.21 0.87 16.92 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.6 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER 54.01 58.06 5.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.364 179.176 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.458 ' NH2' ' OE1' ' A' ' 87' ' ' GLU . 53.9 mtp85 -55.47 -31.02 61.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.421 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 33.0 mmm -69.69 -63.14 1.13 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.988 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.33 -42.94 97.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.245 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 16.9 t -57.16 -46.07 83.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.113 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -67.61 -39.86 84.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.504 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 tp . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.48 -179.606 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 t . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.417 0.151 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -46.97 -35.24 6.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.14 -44.53 83.9 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -56.03 -53.8 52.58 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.5 mm -58.69 -44.54 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.0 t -54.84 -48.29 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.742 -0.383 . . . . 0.0 109.99 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -53.51 -50.62 65.02 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -64.66 -42.77 95.17 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.384 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -55.12 -38.49 68.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.794 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -65.43 -48.17 73.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.013 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.81 74.3 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.092 0.473 . . . . 0.0 110.213 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -58.22 -47.88 82.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.313 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.21 -39.95 51.51 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mt -63.93 -41.2 97.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.861 0.363 . . . . 0.0 110.679 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.502 ' CZ ' ' CD1' ' B' ' 37' ' ' PHE . 16.7 m-85 -63.97 -42.59 97.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.209 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' A' ' 24' ' ' ASP . 46.4 t0 -100.66 76.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.768 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -52.87 -28.38 22.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.052 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.603 ' O ' ' C ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -97.67 38.17 1.31 Allowed 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.593 -179.66 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.603 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.74 67.98 0.01 OUTLIER Glycine 0 CA--C 1.525 0.677 0 O-C-N 123.399 0.437 . . . . 0.0 112.198 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -95.21 -25.94 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.414 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 104.67 13.64 25.4 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.561 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 18.7 m -161.72 165.0 28.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 110.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -116.06 118.02 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.833 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -97.42 151.96 19.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.5 t -49.99 -45.83 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.256 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -61.0 -54.73 41.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.01 -43.8 78.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.619 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.88 -37.05 80.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.421 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.5 91.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.198 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.3 m -58.54 -45.99 87.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.962 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.45 -44.53 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.349 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.02 -42.47 95.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.198 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -59.89 -34.16 72.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.232 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -57.77 -27.25 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.817 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 mp -78.6 11.49 2.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 69.83 40.96 1.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.786 0.679 . . . . 0.0 110.789 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -165.01 128.63 2.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -126.7 84.07 63.67 Favored Pre-proline 0 C--N 1.333 -0.152 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.737 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -56.6 168.14 2.42 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.905 2.403 . . . . 0.0 111.87 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.1 t -66.0 141.95 58.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.69 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.62 -39.27 61.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.351 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.496 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 2.2 tm-20 -48.69 -43.87 37.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.445 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.503 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.3 tm-20 -62.19 -33.28 74.24 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.206 0.527 . . . . 0.0 110.487 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.46 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 4.1 mm? -78.84 -35.07 44.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.083 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -62.1 -48.19 81.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.86 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 54' ' ' GLU . 13.8 p-10 -67.05 -45.87 76.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.436 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.4 ttm -46.85 -54.75 9.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.709 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.53 -41.12 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.271 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.1 t -72.09 -18.91 61.88 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.715 0.634 . . . . 0.0 110.7 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 50' ' ' ASP . 82.2 tt0 -78.72 -8.35 58.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.127 0.489 . . . . 0.0 110.429 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 t -146.45 40.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 14.1 t0 -105.81 103.3 12.77 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.42 -8.2 53.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.258 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 48.7 p30 -127.2 10.27 6.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.737 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 42.43 47.99 5.73 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.62 ' ND2' ' HG1' ' A' ' 62' ' ' THR . 52.5 p-10 -106.53 15.41 25.9 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.652 0.263 . . . . 0.0 110.582 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 47.15 15.78 0.22 Allowed Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.62 ' HG1' ' ND2' ' A' ' 60' ' ' ASN . 77.2 p -139.02 145.65 39.89 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.964 0.412 . . . . 0.0 110.864 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.2 mt -96.94 125.47 49.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 120.957 0.408 . . . . 0.0 110.278 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -82.78 162.73 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -51.27 -48.09 62.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.389 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.07 -38.4 86.08 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.167 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -70.6 -52.56 20.66 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -53.85 -42.92 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.56 -58.63 7.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.371 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.4 t -64.92 -43.65 92.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.44 ' C ' ' CD2' ' A' ' 71' ' ' LEU . 6.6 tt -52.52 -58.83 5.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.5 tpt -67.72 -45.04 76.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.809 0.338 . . . . 0.0 111.319 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.63 -25.8 63.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.882 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' VAL . 25.5 mmtp -94.53 -59.73 1.87 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.749 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -55.21 77.88 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.829 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 74' ' ' LYS . 59.3 t -134.22 162.45 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.514 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 28.5 ttpt 158.62 -62.75 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.16 0 O-C-N 123.466 0.479 . . . . 0.0 110.52 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 71.78 -59.36 0.55 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.672 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.462 ' O ' ' CG2' ' A' ' 79' ' ' THR . 95.9 m 57.18 51.82 9.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.928 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -161.45 120.89 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.84 -52.34 9.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.043 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -58.7 -25.25 62.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.611 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -79.46 -53.04 7.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.308 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.52 -35.98 75.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.006 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 98.1 mt -73.66 -29.24 62.2 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.361 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -84.68 -50.99 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.361 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.45 ' CD ' ' N ' ' A' ' 88' ' ' ALA . 1.8 pp20? -59.01 -40.69 85.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.912 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.45 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -62.14 -55.31 30.06 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -58.7 -37.07 75.3 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.05 0.453 . . . . 0.0 110.144 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.464 ' NZ ' ' NE2' ' A' ' 96' ' ' GLN . 1.4 mmmp? -58.14 -37.99 75.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.6 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.2 t -73.58 -49.68 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.234 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 3.0 m-30 -58.04 -47.15 83.97 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.909 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 96' ' ' GLN . 39.0 t0 -88.79 59.47 5.09 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -39.3 -59.72 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.061 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 53.8 p30 -64.06 -7.71 9.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.234 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 93' ' ' ASP . 76.3 mt-30 45.97 58.9 4.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.336 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.426 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 26.8 p-10 -100.16 -5.7 27.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.369 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.485 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.88 0.81 48.85 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 24.4 m-85 -145.34 149.87 35.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.878 0.37 . . . . 0.0 110.631 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 mt -95.79 115.25 34.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.04 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.6 t -81.86 145.68 30.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.448 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.35 -44.24 65.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.546 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.7 m -59.32 -46.4 88.7 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.95 -46.12 90.43 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.073 0.464 . . . . 0.0 110.304 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.3 tp -70.75 -23.98 62.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.315 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -63.57 -45.48 90.27 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.272 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.685 ' CE1' HD22 ' A' ' 111' ' ' ASN . 2.0 t60 -69.66 -58.11 4.33 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.825 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.8 t -46.19 -16.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.317 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.486 ' H ' ' C ' ' A' ' 107' ' ' HIS . 6.9 tpt -91.45 -76.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.534 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.4 tt -51.26 -32.16 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.271 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.685 HD22 ' CE1' ' A' ' 107' ' ' HIS . 10.3 m120 -52.88 -14.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.668 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.9 mt -96.21 8.2 44.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.621 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.61 36.5 26.01 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -121.63 128.44 51.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.287 0.565 . . . . 0.0 110.62 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -102.62 92.34 4.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.038 0.446 . . . . 0.0 110.254 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.42 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 4.4 mm? -108.17 128.36 54.64 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.9 p -53.47 151.21 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.304 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 42.3 p-10 -59.12 -30.19 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.443 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.462 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.2 mt-10 -64.92 -47.74 76.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.456 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -62.08 -46.98 86.69 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.239 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.6 t -63.43 -45.43 97.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.082 0.468 . . . . 0.0 110.319 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.403 ' CG ' ' HZ2' ' A' ' 126' ' ' LYS . 44.3 tt0 -59.69 -36.68 76.97 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.395 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 127' ' ' GLU . 71.2 mt-30 -61.94 -53.18 59.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.331 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.7 ttp -50.4 -40.22 49.29 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.545 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.438 HG22 HD13 ' A' ' 125' ' ' ILE . 30.8 mm -64.08 -45.85 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.403 ' HZ2' ' CG ' ' A' ' 122' ' ' GLU . 59.1 mttp -76.74 -24.98 53.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 123' ' ' GLN . 94.8 mt-10 -82.71 -57.36 3.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.774 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -46.35 -44.25 16.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.299 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 20.6 t0 -88.91 120.02 29.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.254 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 10.5 mp -57.96 -43.68 86.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.435 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 1.1 p-10 -80.65 -14.67 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.718 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.593 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 65.37 -101.99 0.62 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 0.0 OUTLIER 69.78 -23.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.776 0.322 . . . . 0.0 110.612 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.593 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 104.93 11.74 29.44 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -147.65 153.11 38.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.889 0.376 . . . . 0.0 110.545 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.5 t -113.88 121.04 65.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.103 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.805 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -84.84 155.82 21.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -50.73 -44.58 58.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.135 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.73 -39.42 94.26 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.238 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.431 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 94.8 mt-10 -67.08 -37.28 83.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.121 0.486 . . . . 0.0 110.489 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.591 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 53.2 t80 -70.21 -47.63 60.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.4 t -55.66 -56.04 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.034 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 144' ' ' MET . 36.7 pttt -60.8 -37.58 82.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.069 0.461 . . . . 0.0 110.545 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 144' ' ' MET . 1.8 tmt? -71.18 -35.07 71.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.289 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.591 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 4.7 tpt -67.98 -27.4 66.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.896 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.446 ' O ' ' O ' ' A' ' 145' ' ' MET . 17.6 mmt . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.643 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -60.4 -43.59 96.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -67.49 -38.5 84.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.346 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -61.04 -44.98 96.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -62.73 -47.64 82.69 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -65.94 -35.17 79.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.951 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 38.3 t -60.97 -44.41 97.38 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.033 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 89.6 p -61.97 -43.68 98.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.324 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.1 t -68.41 -43.66 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.618 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.0 t -66.96 -46.5 74.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.756 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 78.3 mt -61.98 -41.65 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.159 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t -58.76 -40.88 80.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.716 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -60.69 -46.13 91.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.909 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.34 -38.57 78.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.332 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' B' ' 34' ' ' ALA . 72.0 ttt180 -70.38 -46.85 63.23 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 33.37 81.29 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -67.35 -16.07 64.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.908 0.385 . . . . 0.0 110.304 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.453 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 80.0 mtt85 -112.06 -0.47 15.65 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.639 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.502 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 1.3 m-85 64.88 45.6 3.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.742 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' B' ' 37' ' ' PHE . 17.9 ptm180 -37.24 -34.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.879 0.371 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' MET . . . . . 0.433 ' SD ' ' C ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -69.11 -72.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.018 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.65 -29.63 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.264 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -61.72 -45.75 92.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.092 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -65.52 -41.05 93.56 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.43 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.422 -179.604 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.846 0.355 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -65.6 -22.13 66.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.425 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -53.17 -30.91 39.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.288 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -75.49 -48.74 21.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.041 0.448 . . . . 0.0 110.068 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.7 mm -63.67 -38.55 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.153 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.1 t -61.89 -48.87 86.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.397 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -53.6 -49.58 67.49 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.05 0.453 . . . . 0.0 110.038 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -64.23 -36.97 85.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.044 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -60.98 -38.26 85.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.248 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -63.98 -48.83 74.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.126 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.53 85.34 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.621 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.53 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 61.5 t80 -52.39 -48.54 65.58 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.05 -31.5 61.71 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -50.27 74.23 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.394 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.23 -33.35 73.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.29 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.53 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 37.2 m-20 -93.0 83.54 4.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -58.18 -43.07 87.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.129 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.561 ' O ' ' C ' ' A' ' 23' ' ' GLY . 51.7 p-10 -92.27 36.08 1.0 Allowed 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.27 63.73 0.01 OUTLIER Glycine 0 N--CA 1.473 1.134 0 O-C-N 124.152 0.908 . . . . 0.0 111.461 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 16.1 p-10 -86.75 -26.52 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.503 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.55 10.46 23.35 Favored Glycine 0 N--CA 1.466 0.655 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.49 ' SG ' ' OD2' ' A' ' 24' ' ' ASP . 20.8 p -167.99 126.67 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.76 0.314 . . . . 0.0 111.01 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 84.5 mt -76.2 130.17 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.01 -170.8 2.04 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 t -81.85 -44.86 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.512 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.68 -44.76 96.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.54 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -62.44 -45.56 92.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.429 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.0 tp -59.6 -40.51 87.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.105 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.29 -39.95 78.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 m -60.82 -48.7 80.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.51 -46.93 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.518 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.93 -43.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -59.13 -34.52 72.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.468 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.5 p -93.59 11.55 28.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.482 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -103.31 14.92 30.46 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.103 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 1.9 m-20 78.69 20.66 0.8 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.443 0.465 . . . . 0.0 110.674 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -145.05 153.18 41.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.233 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.17 79.42 11.75 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.49 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -79.63 160.99 25.02 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.86 2.373 . . . . 0.0 112.231 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 m -62.66 136.39 57.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.34 -49.69 74.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.55 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 1.3 mp0 -43.5 -44.17 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 6.8 mp0 -61.63 -51.1 69.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.846 0.355 . . . . 0.0 110.063 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.3 mt -52.5 -53.54 44.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.37 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -53.41 -45.76 69.5 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.29 -40.35 95.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.482 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 27.6 ttp -63.28 -40.07 96.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.478 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.4 HG21 HD12 ' A' ' 52' ' ' ILE . 31.5 mm -64.6 -45.22 96.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.598 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -79.0 -12.36 60.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -59.15 -44.72 92.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.805 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.7 t -106.77 -46.02 8.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.746 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -48.52 97.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.672 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.598 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -47.0 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.705 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.536 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.1 p30 -60.35 5.54 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.598 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 17.12 59.88 0.01 OUTLIER Glycine 0 C--N 1.346 1.118 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.691 ' ND2' ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -78.02 -10.81 59.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.648 -0.276 . . . . 0.0 110.476 -178.754 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.628 ' N ' HD21 ' A' ' 60' ' ' ASN . . . 101.43 3.65 53.33 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.691 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 12.7 p -140.66 148.97 41.65 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.91 0.386 . . . . 0.0 110.393 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.4 mt -101.47 122.31 53.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.51 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -83.97 161.42 20.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.203 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -52.44 -46.27 66.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.384 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.78 -38.86 83.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.171 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.12 -47.23 52.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.611 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -59.66 -45.98 90.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.258 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.25 -48.03 79.91 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.924 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -63.81 -44.97 91.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.64 -48.14 82.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.576 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.6 tpt -65.35 -42.01 93.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.2 85.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.132 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.29 -61.02 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.35 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -118.15 117.81 30.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.75 ' CG1' ' H ' ' A' ' 77' ' ' LYS . 2.5 p -113.42 -91.35 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.619 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.75 ' H ' ' CG1' ' A' ' 76' ' ' VAL . 65.0 pttt -52.56 179.89 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.172 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -133.63 15.8 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.638 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 75.1 78.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 0.0 110.705 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -160.98 118.65 2.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.18 0.514 . . . . 0.0 110.506 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.5 13.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.995 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -54.04 -18.87 4.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.098 0.475 . . . . 0.0 110.701 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -81.48 -57.77 3.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -68.29 -35.17 77.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.495 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 mt -69.18 -39.72 78.55 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -84.94 -45.06 12.57 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.481 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.05 -41.21 91.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.85 -54.74 37.99 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.553 ' CZ ' ' OD1' ' A' ' 93' ' ' ASP . 59.3 t80 -57.14 -33.48 67.43 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.287 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -61.7 -39.12 90.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.562 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.8 t -73.48 -43.81 54.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.689 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -59.22 -46.72 87.72 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.113 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.553 ' OD1' ' CZ ' ' A' ' 89' ' ' PHE . 5.4 m-20 -93.24 58.41 2.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.034 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -41.31 -58.44 1.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.285 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.44 ' CG ' ' OD1' ' A' ' 97' ' ' ASN . 6.9 p30 -70.13 -2.98 14.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.103 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 93' ' ' ASP . 97.0 mt-30 55.9 67.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.013 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.44 ' OD1' ' CG ' ' A' ' 95' ' ' ASP . 2.6 m120 -102.6 -16.68 16.0 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.654 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 98.01 -2.92 60.09 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.472 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 24.3 m-85 -141.75 146.07 35.56 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mt -91.0 113.75 27.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.284 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 t -90.38 139.36 30.74 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.08 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -41.61 -41.12 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.1 m -59.34 -46.18 89.32 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.753 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.31 -43.01 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.76 -27.75 64.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.131 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 102' ' ' ALA . 67.3 ttt180 -62.4 -45.84 91.3 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.57 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.469 ' C ' ' H ' ' A' ' 109' ' ' MET . 40.1 m80 -69.39 -58.84 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.977 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.3 t -45.13 -18.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.58 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.469 ' H ' ' C ' ' A' ' 107' ' ' HIS . 4.0 tpt -90.29 -76.95 0.41 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.201 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.5 tt -48.31 -37.06 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.741 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -66.54 -26.98 67.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.995 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' A' ' 113' ' ' GLY . 10.8 mp -102.92 76.71 1.5 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.049 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 22.98 55.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 123.784 0.677 . . . . 0.0 111.807 179.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -170.87 101.78 0.23 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -103.63 112.48 25.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.199 0.523 . . . . 0.0 111.21 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.8 mp -109.8 132.12 54.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.286 179.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.434 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 32.6 p -54.2 165.56 0.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.995 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 33.9 p-10 -59.91 -37.19 78.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.4 mt-10 -64.29 -44.29 92.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.588 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -62.92 -43.66 98.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.381 -179.736 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.92 -48.58 87.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.076 0.465 . . . . 0.0 110.435 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.469 ' OE2' ' CB ' ' A' ' 102' ' ' ALA . 80.3 mm-40 -67.69 -34.9 77.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.252 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -64.0 -52.91 57.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.609 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.0 ttp -54.53 -46.9 73.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.405 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.453 HD11 HG22 ' A' ' 125' ' ' ILE . 20.0 mt -62.25 -46.56 96.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.437 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -58.39 -41.57 85.13 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.54 -46.72 58.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.606 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.36 98.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.299 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.555 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 60.2 t0 -68.13 112.75 5.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.273 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 9.4 mp -68.52 -37.11 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 132' ' ' GLY . 1.8 p-10 -90.59 -3.35 57.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.012 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 53.54 118.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.555 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 52.3 p30 -172.44 18.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.58 -0.365 . . . . 0.0 110.598 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.48 19.3 62.21 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.406 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 5.1 mt-30 -152.17 160.94 43.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.544 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.5 t -127.78 126.62 67.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.999 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -90.14 160.31 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.459 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -52.87 -39.47 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.364 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -61.73 -55.37 31.02 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.812 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.438 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 82.2 mt-10 -58.1 -38.32 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.914 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -61.24 -48.07 83.15 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.414 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 34.1 t -58.37 -49.98 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.438 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -64.81 -35.64 81.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.816 0.341 . . . . 0.0 111.296 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -66.55 -28.27 68.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.012 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.4 ttm -91.91 -19.25 22.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.5 mmm . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.943 -179.771 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -64.29 -37.29 86.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.431 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -66.91 -40.97 87.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.468 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -64.29 -39.77 94.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.201 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.44 -48.23 80.59 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -65.61 -35.98 82.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.779 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.1 t -59.9 -44.67 94.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.148 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 20.1 m -60.6 -44.51 96.17 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.228 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.34 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.156 0.503 . . . . 0.0 110.353 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -63.52 -50.26 70.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.257 0.551 . . . . 0.0 111.088 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 64.1 mt -64.88 -25.45 37.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.114 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 25.1 t -68.09 -43.92 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' B' ' 32' ' ' ASN . 28.1 pttt -60.43 -41.62 94.36 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.421 -0.512 . . . . 0.0 109.922 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . 0.442 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 26.0 t-20 -68.25 -37.51 80.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.857 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.562 HH21 ' NH2' ' B' ' 35' ' ' ARG . 52.5 ttt180 -79.65 -3.84 49.02 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.851 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.531 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . -22.77 97.84 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.947 0.403 . . . . 0.0 111.23 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.562 ' NH2' HH21 ' B' ' 33' ' ' ARG . 38.6 ttm180 -83.3 -10.73 58.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.201 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.422 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 6.8 mmp_? -96.41 -1.47 47.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.755 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' B' ' 39' ' ' MET . 0.6 OUTLIER 60.87 43.14 12.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.412 179.513 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -40.94 -27.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.75 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' MET . . . . . 0.468 ' SD ' ' C ' ' B' ' 39' ' ' MET . 0.9 OUTLIER -71.16 -70.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.495 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.37 -43.03 98.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.423 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.9 p -53.99 -47.92 70.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.085 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.455 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 59.2 t30 -78.68 -39.82 35.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.683 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.455 ' OXT' ' O ' ' B' ' 42' ' ' ASN . 6.3 tt . . . . . 0 C--O 1.222 -0.363 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.8 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.964 0.412 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -54.35 -22.83 13.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.588 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.74 -27.97 65.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.031 0.443 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -78.27 -53.88 6.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.055 0.455 . . . . 0.0 110.02 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 mm -61.88 -40.03 85.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.657 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.34 -49.44 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.124 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -54.72 -53.79 50.34 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.613 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -63.23 -42.01 99.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.537 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -59.08 -39.9 83.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.299 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -56.23 -51.49 67.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.3 -47.48 75.52 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.315 0.578 . . . . 0.0 110.205 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -60.38 -46.87 88.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.331 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.13 -39.88 58.48 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.89 -46.12 89.32 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.296 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.7 -40.15 96.24 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.549 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -84.88 71.28 10.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.078 0.466 . . . . 0.0 110.644 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -58.92 -41.23 86.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.524 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' C ' ' A' ' 23' ' ' GLY . 50.3 p-10 -91.89 33.79 1.03 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.65 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 17.74 57.53 0.01 OUTLIER Glycine 0 C--N 1.349 1.254 0 O-C-N 123.768 0.667 . . . . 0.0 112.083 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.0 p-10 -86.93 -25.76 24.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.274 0.559 . . . . 0.0 110.818 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 113.2 -26.54 10.31 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.427 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 12.8 m -128.83 175.84 8.31 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 117.283 0.542 . . . . 0.0 110.163 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.406 HD12 HG22 ' A' ' 27' ' ' ILE . 80.1 mt -119.84 126.48 75.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 m -102.69 152.75 20.85 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.918 0.39 . . . . 0.0 110.913 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.0 t -47.49 -43.99 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.046 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.93 -51.11 70.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.91 -43.74 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.02 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -40.32 94.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.036 179.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.98 90.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.735 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 m -60.99 -51.65 68.36 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.956 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -62.26 -46.8 95.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.437 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.64 -43.03 96.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.465 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -55.88 -38.19 69.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.113 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -91.64 22.02 4.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.46 3.19 6.24 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.673 0.273 . . . . 0.0 110.749 179.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.451 ' CG ' ' H ' ' A' ' 41' ' ' GLN . 0.6 OUTLIER 179.28 -80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.287 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.451 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 56.4 tt0 -154.88 -88.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.764 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 43' ' ' PRO . 20.0 t30 179.44 87.75 0.18 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.503 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.485 ' O ' ' O ' ' A' ' 42' ' ' ASN . 51.0 Cg_exo -52.92 -151.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.732 2.288 . . . . 0.0 111.851 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.4 m -109.08 137.31 47.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.045 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 1.3 pm0 -59.4 -40.62 87.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.576 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -60.14 -40.36 89.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.412 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.72 -32.75 74.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.501 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.56 -55.63 5.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.71 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -53.3 -37.98 62.74 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' GLU . 27.3 t70 -65.21 -47.1 78.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.3 ttm -58.59 -46.01 87.87 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.945 0.402 . . . . 0.0 110.605 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.2 mm -64.9 -40.24 88.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.8 p -79.16 -22.73 44.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.607 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' ASP . 45.0 tp10 -57.15 -44.59 83.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.88 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' A' ' 57' ' ' ALA . 95.6 t -104.8 -57.17 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.277 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -43.08 89.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.753 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.57 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -46.74 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.325 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.522 ' O ' ' C ' ' A' ' 59' ' ' GLY . 5.6 p30 -59.9 1.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.066 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 16.86 60.99 0.01 OUTLIER Glycine 0 C--N 1.347 1.175 0 O-C-N 123.999 0.812 . . . . 0.0 111.276 179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.715 ' ND2' ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -75.91 -10.67 59.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.409 . . . . 0.0 110.678 -179.11 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.642 ' N ' HD21 ' A' ' 60' ' ' ASN . . . 103.06 1.89 48.52 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.715 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 58.7 p -139.71 148.31 42.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.5 mt -100.29 124.24 53.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.945 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -84.75 161.01 20.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.175 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -50.93 -48.29 60.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.093 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -60.62 -39.01 86.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.49 -52.35 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.092 0.472 . . . . 0.0 110.542 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -55.28 -40.02 70.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.563 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -60.61 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.605 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.8 m -52.32 -39.58 60.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.292 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -56.79 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.538 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.1 mmt -67.11 -41.68 85.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.061 0.458 . . . . 0.0 111.059 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.52 80.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.343 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -75.18 -57.31 3.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -79.01 122.19 25.87 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.615 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' A' ' 78' ' ' ASP . 47.7 t -153.16 77.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.45 178.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.485 ' HZ3' HD21 ' B' ' 42' ' ' ASN . 33.5 ttmt -27.65 87.76 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.506 0.504 . . . . 0.0 111.39 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 76' ' ' VAL . 34.5 t70 -117.67 15.89 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.057 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.9 p -114.93 59.23 0.7 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.029 0.442 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.614 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 1.4 p-10 -165.64 89.48 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.94 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.32 -58.41 8.11 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.77 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 85' ' ' LEU . 84.2 tt0 -75.1 -66.66 0.73 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.381 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' GLU . 1.9 tm-20 -35.44 -47.43 0.44 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.337 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -67.63 -47.2 70.29 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.333 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' GLU . 46.4 mt -66.72 -14.63 62.77 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.61 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.01 -48.76 11.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.734 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.534 ' CD ' HH21 ' B' ' 38' ' ' ARG . 81.4 tt0 -65.85 -43.1 89.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.58 -0.448 . . . . 0.0 109.916 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.36 -49.57 75.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.611 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.9 -42.27 93.45 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.828 0.347 . . . . 0.0 110.284 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -57.03 -34.31 68.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.262 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.45 -59.11 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.042 0.448 . . . . 0.0 110.614 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -54.7 -44.26 73.26 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.415 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 96' ' ' GLN . 45.6 t0 -87.15 64.09 8.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.497 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -40.71 -56.56 2.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 111.499 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.451 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 3.1 m-20 -63.76 -9.98 17.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.119 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 93' ' ' ASP . 24.9 pt20 42.95 27.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.799 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.694 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -72.96 2.21 7.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.674 -179.238 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.496 ' N ' HD21 ' A' ' 97' ' ' ASN . . . 97.05 -0.13 60.3 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.694 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 3.8 m-85 -138.13 143.45 40.35 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.772 0.32 . . . . 0.0 110.253 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mt -96.22 112.79 29.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -79.21 153.1 30.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.404 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.99 90.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.3 m -59.66 -41.3 90.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.029 0.442 . . . . 0.0 110.775 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.451 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 50.2 mt-10 -64.38 -58.78 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.869 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 47.7 tp -61.09 -23.71 65.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.226 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -77.25 -49.7 14.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -53.78 -51.94 61.81 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.989 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' A' ' 111' ' ' ASN . 47.5 t -59.09 -64.29 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.939 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 108' ' ' VAL . 6.0 tpt -30.2 -68.98 0.07 Allowed 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.383 0.427 . . . . 0.0 110.731 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.4 ' C ' ' H ' ' A' ' 112' ' ' LEU . 18.8 tt -57.07 -34.81 45.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.017 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 108' ' ' VAL . 0.7 OUTLIER -52.66 -13.26 0.37 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.661 0.267 . . . . 0.0 110.737 -179.664 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.4 ' H ' ' C ' ' A' ' 110' ' ' ILE . 3.9 mm? -92.69 -104.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -154.72 68.96 0.29 Allowed Glycine 0 C--N 1.322 -0.234 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.525 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 82.9 tt0 -169.11 127.06 0.98 Allowed 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.523 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.63 119.96 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.035 0.445 . . . . 0.0 110.314 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.96 166.47 10.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.447 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.3 p -136.5 177.42 7.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.322 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 32.3 p-10 -71.85 -33.97 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.654 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.418 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 80.7 mm-40 -73.85 -57.02 4.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.456 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 43.3 tp10 -51.08 -44.86 61.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.391 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.38 -46.16 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.165 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -66.58 -32.4 73.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -61.33 -64.45 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.603 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 1.2 ttp -55.03 -41.7 71.71 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.527 -178.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.8 mm -62.18 -42.0 93.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.717 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -75.16 -29.7 60.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -84.42 -66.05 0.94 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.046 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.425 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -41.59 -32.69 0.38 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 110.295 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.442 ' OD2' ' OD1' ' A' ' 133' ' ' ASP . 63.7 t0 -89.39 114.32 25.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.365 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.82 -45.0 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.307 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 12.5 p30 -86.05 -1.83 57.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.462 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.2 42.26 3.12 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.442 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 27.6 p-10 -71.53 -1.1 12.22 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.549 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.73 -10.4 45.21 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -144.28 168.38 20.21 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.635 0.255 . . . . 0.0 110.408 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.8 t -115.3 126.23 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.702 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -92.14 149.69 21.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.355 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -43.83 -42.15 5.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.193 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.83 -50.14 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.435 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 95.6 mt-10 -61.78 -43.1 99.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.194 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.26 -49.79 76.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.089 0.471 . . . . 0.0 109.999 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 20.0 t -57.6 -47.2 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.837 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -60.65 -31.78 70.98 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.815 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.481 ' SD ' ' O ' ' A' ' 144' ' ' MET . 1.6 tmm? -67.0 -38.15 85.49 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.925 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 tpp -84.66 -17.22 39.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.377 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 C--N 1.327 -0.391 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.208 -179.575 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 ttp85 -60.43 -42.54 96.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.524 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.91 -40.01 95.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.431 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.525 ' NH1' ' OE2' ' A' ' 114' ' ' GLU . 14.3 tpp180 -58.86 -45.08 90.98 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.169 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.603 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 11.5 m95 -62.83 -47.39 83.61 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.208 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -65.42 -36.59 84.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.8 t -60.32 -48.06 83.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.8 p -60.77 -43.14 98.43 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.094 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.19 -43.49 84.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.786 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.2 p -66.64 -41.99 87.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.338 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.13 -41.02 91.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.9 t -59.39 -44.35 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.09 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -64.33 -43.84 93.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.465 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -68.28 -41.46 80.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.588 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.576 ' CZ ' ' NH2' ' B' ' 35' ' ' ARG . 70.1 ttt180 -74.72 -44.74 48.41 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.002 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.561 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 63.0 -66.1 0.09 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.252 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.576 ' NH2' ' CZ ' ' B' ' 33' ' ' ARG . 42.6 ttm-85 70.21 -38.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 123.413 0.446 . . . . 0.0 110.306 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.561 ' H ' ' C ' ' B' ' 34' ' ' ALA . 33.9 ttm180 -106.14 -0.72 24.44 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.607 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.484 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.7 OUTLIER 65.68 62.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.055 0.455 . . . . 0.0 109.845 179.325 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.534 HH21 ' CD ' ' A' ' 87' ' ' GLU . 2.4 mtp85 -56.17 -33.62 65.41 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.163 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' MET . . . . . 0.487 ' N ' ' SD ' ' B' ' 39' ' ' MET . 1.8 mpt? -69.48 -63.14 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.77 -42.21 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.093 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 44.2 t -56.34 -43.25 78.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.298 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.485 HD21 ' HZ3' ' A' ' 77' ' ' LYS . 67.4 m-20 -94.32 -3.27 50.78 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.947 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.543 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.007 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.888 0.375 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 6' ' ' GLU . 54.7 mp0 -54.32 -32.68 57.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.589 -179.692 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 1.3 mp0 -57.02 -35.92 69.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.867 0.365 . . . . 0.0 110.348 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.09 -53.9 13.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.172 0.511 . . . . 0.0 110.411 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.68 -39.07 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.138 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.17 -48.67 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.322 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 7' ' ' GLU . 1.3 m-20 -54.76 -52.76 61.56 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 120.446 -0.502 . . . . 0.0 109.984 -179.308 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -62.61 -40.65 97.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.033 179.311 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -60.72 -42.69 97.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.477 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -55.88 -52.73 63.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.23 -179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.17 75.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.996 0.426 . . . . 0.0 110.44 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.523 ' CE1' ' OD2' ' A' ' 20' ' ' ASP . 3.1 t80 -60.07 -47.28 86.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.233 179.415 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.97 -37.43 58.11 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.094 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.14 -43.36 92.14 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.802 179.596 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.42 -35.65 76.3 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.807 -179.312 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.523 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 96.9 m-20 -93.38 82.88 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.562 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -56.18 -42.08 76.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.926 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 23' ' ' GLY . 53.4 p-10 -91.71 38.73 0.99 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 -179.529 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.54 65.92 0.01 OUTLIER Glycine 0 C--N 1.344 0.987 0 O-C-N 123.927 0.767 . . . . 0.0 111.705 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 50.5 p-10 -91.98 -24.67 19.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.741 0.305 . . . . 0.0 110.489 -179.146 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 115.52 -26.98 8.68 Favored Glycine 0 N--CA 1.466 0.678 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.4 p -125.07 174.49 8.0 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 117.096 0.448 . . . . 0.0 109.915 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.3 mt -114.52 118.62 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.957 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.23 -173.66 3.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.6 t -83.85 -43.54 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.62 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -64.69 -40.03 94.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.591 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 39.0 mt-10 -68.68 -49.98 54.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.356 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.32 -40.09 89.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.74 98.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.259 179.345 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.5 m -57.67 -46.47 84.22 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.416 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.5 t -59.8 -45.62 94.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 40' ' ' ASP . 79.1 mt -63.43 -43.34 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 178.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -51.77 -46.0 63.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.67 -178.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.9 t -75.36 -39.93 58.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.217 0.532 . . . . 0.0 110.61 179.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -4.28 40.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.81 -178.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' ILE . 21.0 m-20 -150.17 -124.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.392 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -127.01 -108.31 0.31 Allowed 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.637 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -144.53 77.34 13.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.711 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.56 165.44 27.14 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.92 2.413 . . . . 0.0 111.794 179.605 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 m -78.0 133.44 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 48' ' ' LEU . 72.6 tt0 -53.35 -46.36 69.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.573 179.701 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -40.89 -42.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 0.0 110.619 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.06 -33.89 76.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.325 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' GLU . 9.3 mp -74.6 -45.0 48.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 179.501 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -31.34 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.91 -54.05 15.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.1 ttp -57.05 -44.73 83.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.606 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.6 mt -67.82 -38.62 80.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.397 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 t -66.27 -38.4 87.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -51.62 -39.49 58.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.576 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ALA . 97.4 t -99.52 -53.28 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.774 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 42.6 t0 -47.33 94.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.334 -179.666 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.602 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -44.97 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.983 -179.667 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 59' ' ' GLY . 21.3 p-10 -61.8 6.7 0.06 Allowed 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.602 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 17.18 60.34 0.01 OUTLIER Glycine 0 C--N 1.346 1.126 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 179.516 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 9.4 p-10 -89.86 -21.84 22.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.746 0.308 . . . . 0.0 110.632 -179.037 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.33 7.86 39.41 Favored Glycine 0 N--CA 1.463 0.438 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.551 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 15.9 p -133.41 123.69 25.8 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.492 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.0 mt -97.77 124.12 50.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -89.55 170.72 10.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.334 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -55.07 -43.73 74.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.336 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.29 -42.54 95.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -72.03 -43.6 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.652 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.55 -44.51 93.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.087 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.12 -45.81 90.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.066 0.46 . . . . 0.0 110.267 -179.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.9 m -59.59 -44.23 93.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.47 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mt -59.83 -47.98 83.52 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.598 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.5 -40.91 76.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.951 0.405 . . . . 0.0 110.952 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.44 -36.33 77.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.6 -179.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -62.21 1.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.669 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.56 ' O ' ' C ' ' A' ' 76' ' ' VAL . 43.3 tptt -45.84 -81.57 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.289 -179.09 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.589 ' O ' ' CB ' ' A' ' 77' ' ' LYS . 95.2 t -9.46 123.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.953 0 O-C-N 124.539 1.15 . . . . 0.0 110.81 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.589 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 45.4 tttp 98.17 106.63 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.674 1.234 . . . . 0.0 110.825 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 27.2 t0 90.9 13.03 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.084 0.865 . . . . 0.0 111.066 178.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.508 ' OG1' ' NH2' ' B' ' 38' ' ' ARG . 22.6 p -66.04 48.04 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.751 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 78' ' ' ASP . 90.4 m-20 61.79 144.63 0.02 OUTLIER 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.557 0.536 . . . . 0.0 111.221 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.11 -54.6 6.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.906 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -53.79 -17.03 2.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.552 -179.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -89.28 -50.75 5.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.728 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.495 ' OE2' ' OG1' ' A' ' 79' ' ' THR . 90.1 mt-10 -67.73 -35.69 79.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.986 0.422 . . . . 0.0 110.13 179.669 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.19 -35.9 58.89 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.548 -179.061 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -84.66 -45.22 12.7 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.869 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -62.78 -46.93 85.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.201 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.44 -52.03 67.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.891 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.31 -41.09 83.71 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.211 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -55.69 -35.89 66.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 -179.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.5 t -73.34 -57.73 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 3.7 m-85 -56.64 -47.56 79.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.021 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.616 ' O ' ' N ' ' A' ' 96' ' ' GLN . 40.0 t0 -86.64 56.54 4.05 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.556 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -38.53 -51.83 1.6 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.832 0.349 . . . . 0.0 110.871 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.455 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.1 m-20 -64.46 -19.68 65.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.553 -179.321 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.616 ' N ' ' O ' ' A' ' 93' ' ' ASP . 88.7 mt-30 60.43 11.13 2.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.448 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.432 ' O ' ' CE2' ' A' ' 99' ' ' TYR . 28.5 p-10 -59.85 -0.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 89.54 4.7 73.01 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.432 ' CE2' ' O ' ' A' ' 97' ' ' ASN . 5.3 m-85 -136.57 141.88 43.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.633 0.254 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.2 mt -97.64 114.19 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.961 0.41 . . . . 0.0 109.926 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.5 t -82.77 149.32 27.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.708 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.06 -42.74 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.48 ' HG ' ' N ' ' A' ' 104' ' ' GLU . 72.3 p -60.0 -40.95 90.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.589 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.48 ' N ' ' HG ' ' A' ' 103' ' ' SER . 90.7 mt-10 -64.51 -57.95 7.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.274 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.9 tp -60.06 -22.41 62.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.373 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 -82.6 -41.48 19.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.968 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -57.31 -53.09 62.02 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.966 -179.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 112' ' ' LEU . 11.2 t -60.67 -64.97 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.979 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 108' ' ' VAL . 1.5 mmt -32.13 -76.87 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.492 0.495 . . . . 0.0 110.976 -179.486 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.517 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 20.9 tt -49.31 -47.49 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.722 -179.105 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.517 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 48.5 t30 -66.42 -8.89 28.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 -179.692 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 108' ' ' VAL . 9.5 tp -89.2 14.56 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.955 -179.395 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.76 67.44 1.57 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -171.66 138.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.321 . . . . 0.0 110.297 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 98.61 8.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.34 . . . . 0.0 110.592 -179.733 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.1 mt -109.4 130.05 55.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.494 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.4 p -70.73 169.74 13.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.251 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 17.2 p-10 -64.09 -31.97 73.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.502 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.44 -49.54 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.476 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 26.8 tp10 -57.91 -44.09 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.262 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.6 t -65.59 -43.71 93.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.389 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -59.49 -26.31 65.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.308 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.416 ' O ' ' OE1' ' A' ' 127' ' ' GLU . 71.3 mt-30 -76.82 -65.05 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.495 179.231 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.0 ttt -39.73 -51.65 2.33 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.915 0.388 . . . . 0.0 111.009 -179.247 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 126' ' ' LYS . 9.7 tp -63.25 -44.97 99.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.61 -179.751 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.455 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 64.2 tttp -65.91 -32.36 73.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.766 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 123' ' ' GLN . 2.1 mp0 -74.46 -55.86 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.356 -179.221 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.505 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -52.12 -30.18 25.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.393 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 22.0 t0 -83.75 100.61 11.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.862 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.8 mt -73.66 -38.51 64.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.425 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 20.0 p-10 -92.05 1.9 56.91 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 -179.356 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 54.4 112.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.877 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.454 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 10.8 m-20 -158.56 10.88 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.784 0.325 . . . . 0.0 110.548 179.813 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.49 0.6 12.23 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -148.82 160.67 43.01 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.875 0.369 . . . . 0.0 110.427 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.8 t -117.91 125.51 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 CA-C-O 121.153 0.502 . . . . 0.0 110.538 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.685 HD21 ' N ' ' A' ' 137' ' ' ASN . 0.6 OUTLIER -88.24 150.08 23.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.375 179.869 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.404 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 68.3 t80 -45.84 -42.1 11.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.145 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.63 -49.91 75.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.83 -40.36 97.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.136 179.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -60.2 -52.38 65.56 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.92 0.39 . . . . 0.0 110.497 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.404 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 52.1 t -57.95 -44.49 86.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.045 -179.471 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -64.22 -37.06 86.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.919 0.39 . . . . 0.0 111.207 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -35.64 78.87 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.2 ttm -90.46 -15.44 30.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.025 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.9 mmt . . . . . 0 N--CA 1.466 0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.259 -179.791 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -62.13 -43.94 97.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.399 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.455 ' O ' ' OG ' ' B' ' 25' ' ' SER . 26.8 mt-30 -65.34 -39.17 92.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.588 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.476 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 10.8 tpp85 -59.96 -46.33 89.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.47 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.505 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 8.8 m95 -66.7 -47.27 72.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.956 0.408 . . . . 0.0 110.031 179.009 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -64.12 -37.89 89.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.783 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 68.3 m -61.22 -43.44 98.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.17 179.358 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.444 ' O ' ' CG2' ' B' ' 30' ' ' VAL . 50.2 p -60.18 -43.66 95.68 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.31 -43.88 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.223 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -65.25 -46.73 79.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.264 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.98 -41.63 91.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.602 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' B' ' 26' ' ' SER . 54.0 t -61.31 -42.78 94.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.004 179.437 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -57.8 -46.04 85.2 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.066 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -65.25 -39.15 92.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.057 179.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.671 ' O ' ' N ' ' B' ' 35' ' ' ARG . 61.5 ttp180 -63.91 -45.75 87.91 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.626 -179.768 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.635 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 47.07 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 O-C-N 123.67 0.606 . . . . 0.0 110.663 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.671 ' N ' ' O ' ' B' ' 33' ' ' ARG . 44.1 ttm180 66.57 -33.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.537 0.523 . . . . 0.0 110.068 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.635 ' H ' ' C ' ' B' ' 34' ' ' ALA . 55.5 ttm-85 -87.73 -8.49 55.99 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.121 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.497 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.9 OUTLIER 67.03 42.46 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.407 179.38 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.508 ' NH2' ' OG1' ' A' ' 79' ' ' THR . 14.5 mtm180 -38.13 -34.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.668 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.0 ttt -65.05 -71.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.66 -43.06 98.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.469 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' B' ' 36' ' ' ARG . 22.4 m -54.7 -44.96 73.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.526 -179.465 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -63.58 -41.94 98.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.375 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' B' ' 43' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.423 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 121.255 0.55 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -57.52 -27.03 62.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.558 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -48.17 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.834 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -49.22 -45.16 44.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 mm -61.21 -44.03 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.234 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.0 t -55.64 -46.97 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -54.39 -48.27 71.74 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.38 0.609 . . . . 0.0 109.889 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -62.94 -41.95 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.033 178.374 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -56.79 -37.54 71.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.994 -179.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.13 -50.19 71.4 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.371 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.0 -42.54 63.07 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.089 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.534 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 18.3 t80 -59.98 -45.79 91.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.173 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.91 -41.13 58.59 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.59 -42.98 99.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.563 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 15.0 m-85 -62.21 -40.73 97.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.582 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.534 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 93.3 m-20 -105.85 74.97 1.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.721 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -53.84 -18.35 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.8 p30 -106.67 34.34 3.46 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.27 61.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.891 -0.483 . . . . 0.0 111.891 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 75.5 m-20 -86.61 -29.45 22.56 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 120.364 -0.535 . . . . 0.0 109.768 -178.256 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.507 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 105.42 7.71 36.75 Favored Glycine 0 N--CA 1.467 0.76 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.645 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 41.5 m -154.76 157.28 37.75 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 120.873 0.368 . . . . 0.0 110.291 179.732 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.41 HD12 HG22 ' A' ' 27' ' ' ILE . 98.8 mt -112.91 116.52 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.241 179.401 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 m -104.67 151.73 23.35 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.753 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.5 t -49.8 -42.67 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.116 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.71 -59.5 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.579 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 60.2 mt-10 -59.11 -46.18 88.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.002 0.429 . . . . 0.0 110.044 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.94 -40.28 97.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.644 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.98 -46.67 89.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.975 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.431 ' OG1' ' NH2' ' A' ' 37' ' ' ARG . 20.6 m -55.24 -42.81 73.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.105 179.639 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.57 -47.86 91.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.4 mt -65.01 -45.05 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.756 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.431 ' NH2' ' OG1' ' A' ' 34' ' ' THR . 88.4 mtm180 -54.19 -43.05 70.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.285 -179.411 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.64 ' C ' ' H ' ' A' ' 40' ' ' ASP . 4.6 t -63.26 -30.06 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.085 178.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' CD2' ' OG ' ' B' ' 41' ' ' SER . 0.7 OUTLIER -62.23 10.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.64 ' H ' ' C ' ' A' ' 38' ' ' SER . 2.2 t70 80.75 -13.36 0.94 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.539 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -113.67 139.11 49.33 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -129.31 80.38 72.4 Favored Pre-proline 0 N--CA 1.466 0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.159 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.41 155.79 50.29 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.961 2.441 . . . . 0.0 112.1 179.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.33 143.63 57.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.446 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 49' ' ' GLN . 22.4 pt-20 -63.4 -28.72 70.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.679 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 81.1 tt0 -60.49 -62.37 1.91 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.955 -179.266 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.502 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 38.5 tp10 -59.58 -27.24 66.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.111 0.481 . . . . 0.0 110.575 -179.609 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.6 tp -80.44 -39.92 27.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.0 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 45' ' ' GLU . 56.0 tt0 -68.56 -42.25 78.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.042 -178.506 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 51' ' ' MET . 2.5 p30 -72.53 -44.72 61.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.752 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.554 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 35.0 ttp -57.76 -45.99 85.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.588 -179.438 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.82 -42.23 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.009 179.21 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.1 p -74.11 -27.64 60.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 -179.516 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 50' ' ' ASP . 83.2 tt0 -65.24 -43.35 91.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.54 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 82.6 t -75.75 -44.26 39.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.683 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.439 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 10.5 t0 -76.04 108.47 8.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.29 -179.168 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.595 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -43.9 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.1 p30 -60.02 4.13 0.05 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.595 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 18.08 60.22 0.01 OUTLIER Glycine 0 C--N 1.344 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.525 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.702 HD21 ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -82.45 -17.54 44.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.737 0.304 . . . . 0.0 110.555 -178.827 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.702 ' N ' HD21 ' A' ' 60' ' ' ASN . . . 102.86 4.73 48.31 Favored Glycine 0 N--CA 1.464 0.505 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.464 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.693 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 21.9 p -135.19 124.19 24.21 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.513 179.674 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.6 mt -92.03 124.39 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.252 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.07 171.93 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.375 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -55.14 -46.09 75.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.48 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.64 -42.25 96.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.86 0.362 . . . . 0.0 110.821 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -71.86 -48.17 47.83 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.551 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -56.79 -45.21 82.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tt -58.79 -59.86 4.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.63 -178.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.4 m -64.27 -43.47 94.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.077 0.465 . . . . 0.0 111.197 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.458 ' C ' ' CD2' ' A' ' 71' ' ' LEU . 5.6 tt -46.29 -48.16 18.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.698 -179.275 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.3 tpt -85.18 -61.21 1.82 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.153 -178.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.19 -32.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.975 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -88.33 -61.32 1.74 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.438 -179.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -61.73 94.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.116 -179.545 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.9 t -156.22 79.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.562 179.015 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' A' ' 79' ' ' THR . 62.5 tttm -127.68 -105.24 0.32 Allowed 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 119.084 -0.484 . . . . 0.0 109.894 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' LYS . 99.2 m-20 24.99 -82.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 O-C-N 124.091 0.869 . . . . 0.0 111.425 -179.73 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.604 ' N ' ' O ' ' A' ' 77' ' ' LYS . 55.3 m 60.52 146.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.82 0.7 . . . . 0.0 110.11 178.406 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 18.8 t0 -156.49 138.33 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.24 179.847 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.522 ' N ' ' OD1' ' A' ' 80' ' ' ASP . . . -63.8 -58.49 6.66 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.435 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -54.62 -32.64 59.2 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.104 0.478 . . . . 0.0 111.487 -179.511 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -76.08 -47.3 25.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.179 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 30.1 tt0 -76.64 -32.01 57.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.105 0.478 . . . . 0.0 110.675 -179.489 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.64 -40.15 92.19 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.292 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -83.46 -43.73 15.5 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.284 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.525 ' OE1' ' NE ' ' B' ' 38' ' ' ARG . 78.6 tt0 -64.41 -38.27 90.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.233 -179.523 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -66.74 -59.22 3.76 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.139 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -54.05 -41.99 68.74 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -59.01 -37.75 77.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.6 t -74.15 -51.63 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.967 0.413 . . . . 0.0 110.656 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 8.3 m-30 -60.66 -48.41 81.9 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.639 -179.566 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 96' ' ' GLN . 34.8 t0 -84.19 68.2 10.04 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.307 0.379 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -40.88 -59.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.178 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 55.6 p-10 -66.9 -4.14 8.68 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.98 -179.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 93' ' ' ASP . 12.0 pt20 34.89 59.26 0.7 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.483 0.49 . . . . 0.0 110.706 179.292 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -96.98 3.05 52.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.417 -179.244 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.8 1.72 58.62 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.471 ' CG ' ' NE2' ' A' ' 135' ' ' GLN . 2.7 m-85 -145.49 150.05 35.76 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 110.156 179.671 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.0 mt -97.65 117.24 42.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.222 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 m -84.93 147.92 26.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.349 179.566 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.9 -45.54 74.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.635 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.522 ' OG ' ' NE2' ' A' ' 107' ' ' HIS . 11.7 t -60.7 -44.09 96.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 110.635 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -59.53 -55.14 38.31 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 121.073 0.463 . . . . 0.0 110.443 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.2 tp -62.43 -21.41 65.4 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.393 179.17 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -82.45 -41.56 19.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.793 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.522 ' NE2' ' OG ' ' A' ' 103' ' ' SER . 37.8 m-70 -56.33 -50.79 70.46 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.607 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 109' ' ' MET . 13.9 t -62.32 -63.88 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.898 179.536 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -32.12 -74.68 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.517 0.51 . . . . 0.0 111.233 -179.098 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 20.7 tt -49.05 -47.97 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.485 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 11.2 m120 -61.45 -15.49 37.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.278 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 108' ' ' VAL . 3.7 mp -113.77 7.69 17.21 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 179.168 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.57 109.3 3.3 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 2.7 tt0 -172.47 179.22 2.55 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.125 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 12.5 mttp 161.77 52.42 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.599 0.714 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 22.8 mt -104.9 138.03 41.75 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.764 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.6 p -48.57 150.0 1.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.598 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -45.44 -42.37 10.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.496 -179.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -56.41 -46.61 80.11 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.36 0.6 . . . . 0.0 110.501 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -63.56 -38.49 91.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.238 179.174 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.96 -42.47 86.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.42 0.628 . . . . 0.0 109.638 179.368 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -54.31 -57.76 9.99 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.601 -0.439 . . . . 0.0 109.916 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -55.45 -26.04 39.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.485 0.66 . . . . 0.0 110.954 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.507 ' C ' ' SD ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -60.24 -54.77 41.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.373 -179.4 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.2 tt -86.21 -29.37 6.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.047 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -60.03 -27.3 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.607 -178.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -68.6 -49.73 57.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.16 -179.289 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.29 -6.73 52.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.174 0.511 . . . . 0.0 110.652 -179.696 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.485 ' OD1' ' O ' ' A' ' 132' ' ' GLY . 0.2 OUTLIER -88.82 91.61 8.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.558 179.66 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.553 ' N ' ' CD2' ' A' ' 130' ' ' LEU . 3.8 mm? -70.11 -57.63 4.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.805 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -91.77 1.05 57.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.0 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.61 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 70.72 -75.53 0.56 Allowed Glycine 0 C--O 1.224 -0.491 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.952 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.571 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 6.1 p30 40.74 16.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.665 0.269 . . . . 0.0 110.422 -179.042 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 75.7 -20.14 2.38 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.463 -0.399 . . . . 0.0 112.299 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.571 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 12.9 pt20 -136.88 174.44 10.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.785 0.802 . . . . 0.0 110.837 -178.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.7 t -110.2 123.01 65.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.828 179.38 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.668 HD21 ' N ' ' A' ' 137' ' ' ASN . 0.4 OUTLIER -80.53 154.68 27.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.409 179.504 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -55.38 -44.35 76.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.404 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -54.74 -44.42 73.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.252 -179.567 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.32 -38.22 88.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.312 179.521 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.01 -48.19 82.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.793 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.6 -44.42 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.673 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -60.25 -41.41 93.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.053 -179.35 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' A' ' 144' ' ' MET . 6.0 tmm? -72.64 -37.7 67.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.129 0.49 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.2 tpt -63.56 -33.73 76.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.935 -179.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.8 mmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 -179.332 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.445 ' H2 ' ' H ' ' B' ' 20' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.445 ' H ' ' H2 ' ' B' ' 19' ' ' ALA . 25.2 mtm-85 -59.81 -47.26 86.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -66.07 -40.74 91.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.56 -179.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -61.6 -42.33 98.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.984 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -60.88 -48.39 82.03 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.034 178.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -66.03 -34.0 77.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.774 179.27 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.4 t -60.59 -46.89 88.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.149 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 28.7 m -60.75 -43.8 97.52 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.259 179.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.8 t -67.66 -42.83 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.207 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -61.58 -42.52 98.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.56 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 56.6 mt -61.34 -41.96 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.757 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 64.0 t -60.35 -40.06 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.523 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.406 ' HZ2' HH12 ' B' ' 38' ' ' ARG . 27.2 tttp -60.03 -46.68 88.73 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.229 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -67.23 -38.72 85.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.134 178.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.623 ' NH2' ' NH2' ' B' ' 35' ' ' ARG . 58.5 ttt85 -67.74 -44.38 77.72 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.341 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . 36.83 92.08 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.203 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.623 ' NH2' ' NH2' ' B' ' 33' ' ' ARG . 6.3 mmt85 -93.72 7.91 43.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.47 179.677 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.418 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 90.1 mtt-85 -130.73 1.38 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER 62.05 45.96 6.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.419 179.572 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.525 ' NE ' ' OE1' ' A' ' 87' ' ' GLU . 65.7 mtp180 -39.73 -37.6 0.55 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.992 0.425 . . . . 0.0 110.653 -179.279 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 85.1 mmm -67.39 -68.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.156 -179.498 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.56 -43.09 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.588 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.487 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 30.2 t -55.33 -44.68 76.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.222 -179.229 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -64.16 -41.56 97.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 179.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' B' ' 43' ' ' LEU . 10.5 mp . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.38 -179.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p . . . . . 0 C--O 1.223 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -57.63 -14.52 5.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.76 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 11.6 mp0 -60.54 -57.44 12.71 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.941 0.4 . . . . 0.0 110.54 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' HG3' ' H ' ' A' ' 9' ' ' ILE . 1.2 pp0? -47.06 -40.25 14.59 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.091 -179.515 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.404 ' H ' ' HG3' ' A' ' 8' ' ' GLN . 29.7 mm -66.33 -42.71 91.14 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.293 179.152 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.89 -47.73 85.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.704 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.81 -53.62 54.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.301 0.572 . . . . 0.0 110.233 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -58.21 -42.57 86.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.621 179.362 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -62.03 -40.27 95.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.418 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -58.88 -51.61 69.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.377 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.44 -37.78 70.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.936 0.398 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 59.2 t80 -63.72 -47.57 80.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.602 179.068 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.24 -36.02 61.51 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.456 -1.057 . . . . 0.0 110.456 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.55 -46.01 77.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.681 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.539 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 8.2 m-85 -56.0 -34.35 65.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.165 -179.407 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.417 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 97.9 m-20 -103.31 79.8 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.846 -179.678 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -56.92 -15.98 5.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.276 -179.212 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' GLY . 50.6 p30 -117.14 35.1 4.79 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.763 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.35 56.45 0.01 OUTLIER Glycine 0 C--N 1.349 1.288 0 O-C-N 123.963 0.789 . . . . 0.0 111.781 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 25.8 p-10 -81.96 -27.61 33.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.933 0.397 . . . . 0.0 110.764 -178.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.37 7.27 28.49 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 20.7 m -159.51 163.01 35.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.4 mt -116.69 119.4 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 m -97.14 151.57 19.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.017 0.436 . . . . 0.0 111.134 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.0 t -46.01 -41.69 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.119 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.31 -56.91 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -57.0 -45.14 83.23 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -41.43 97.23 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.881 -178.587 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.64 -47.92 78.68 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.759 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 m -60.16 -54.78 41.75 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.204 -179.257 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' ' OG ' ' A' ' 38' ' ' SER . 83.9 t -48.27 -46.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.442 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -62.47 -43.62 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.602 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.81 -29.8 65.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.944 0.402 . . . . 0.0 110.676 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 40' ' ' ASP . 25.0 p -56.78 -31.32 64.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.389 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 41' ' ' GLN . 5.7 mp -75.74 13.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.366 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' A' ' 38' ' ' SER . 11.8 t0 72.73 -18.6 0.34 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.527 ' H ' ' C ' ' A' ' 39' ' ' LEU . 77.9 mt-30 -78.45 168.65 19.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.289 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -156.74 84.15 3.11 Favored Pre-proline 0 C--N 1.323 -0.554 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.703 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -75.61 170.62 19.85 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.796 2.331 . . . . 0.0 111.942 -179.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 46' ' ' GLU . 73.8 m -79.91 155.76 27.6 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.549 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 49' ' ' GLN . 12.2 pt-20 -73.67 -40.74 63.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.534 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' H ' HG22 ' A' ' 44' ' ' THR . 80.7 mm-40 -49.31 -60.87 2.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.506 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.59 -67.45 0.33 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -43.66 -46.02 7.17 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.616 -178.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 66.3 tt0 -66.09 -37.14 85.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.255 179.635 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -66.93 -43.87 82.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.498 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.6 tmm? -60.15 -45.7 92.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.774 -179.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.2 mt -70.28 -28.8 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.971 0.415 . . . . 0.0 110.32 179.358 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.9 m -68.36 -46.77 69.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.277 -179.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -62.55 -37.62 86.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 t -80.6 -44.8 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.645 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 60' ' ' ASN . 34.3 t0 -69.07 100.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.415 -179.488 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.605 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -49.73 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.913 -179.637 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 59' ' ' GLY . 32.6 p-10 -63.04 8.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.578 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.605 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 28.63 62.84 0.12 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.459 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 38.7 p30 -101.31 26.61 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.464 -179.055 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 49.7 18.95 1.94 Allowed Glycine 0 CA--C 1.518 0.221 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.7 p -138.46 138.18 37.87 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.692 0.282 . . . . 0.0 110.315 179.445 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 52.1 mt -102.06 129.82 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.834 0.35 . . . . 0.0 110.47 -179.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -94.11 154.92 17.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.359 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -44.0 -50.16 8.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.545 -179.335 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -60.89 -36.78 80.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.394 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.24 -48.35 57.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.497 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.0 -42.77 99.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.296 179.56 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.27 -62.34 1.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.674 -178.778 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.7 p -59.61 -37.28 78.16 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.283 -179.006 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.457 ' CD1' ' C ' ' A' ' 71' ' ' LEU . 3.0 tm? -62.03 -51.92 66.04 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.801 -178.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.558 ' SD ' ' SD ' ' B' ' 39' ' ' MET . 8.0 tpt -73.33 -40.48 64.42 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.413 -179.049 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.4 -23.68 65.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.756 -179.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -57.98 -64.58 0.86 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.729 -179.359 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 76' ' ' VAL . 49.9 tptt -42.13 -79.88 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.264 -178.338 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.515 ' C ' ' O ' ' A' ' 75' ' ' LYS . 10.1 t -17.47 108.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 124.296 0.997 . . . . 0.0 110.606 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -170.73 -86.77 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.486 -179.052 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.45 ' O ' ' OG1' ' A' ' 79' ' ' THR . 65.6 t0 -167.04 -52.86 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.44 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 78' ' ' ASP . 30.4 p 54.78 -134.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.686 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 8.8 t0 -76.79 143.46 39.81 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.463 0.649 . . . . 0.0 110.939 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.498 ' N ' ' OD1' ' A' ' 80' ' ' ASP . . . -73.47 -54.86 7.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.776 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.54 -17.42 13.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.11 0.481 . . . . 0.0 110.51 -179.416 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -81.11 -53.64 6.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.435 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.559 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 73.6 mm-40 -72.24 -36.56 69.13 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.258 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tp -67.14 -39.73 86.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.691 -179.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -80.36 -43.39 21.2 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -57.61 -42.98 84.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.152 0.501 . . . . 0.0 110.069 -179.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.14 -56.05 22.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.923 179.446 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.478 ' CZ ' ' CG ' ' A' ' 93' ' ' ASP . 80.8 t80 -55.88 -38.25 69.9 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.278 179.821 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -57.23 -37.86 72.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 82.8 t -72.36 -51.56 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.807 179.306 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -62.52 -49.0 77.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.226 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' GLN . 0.9 OUTLIER -76.92 53.6 0.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.263 0.554 . . . . 0.0 109.74 -179.69 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -42.3 -59.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.307 -178.506 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.452 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 1.5 p-10 -69.01 -3.84 14.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.409 -179.818 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 93' ' ' ASP . 97.3 mt-30 46.43 47.66 13.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.498 179.555 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 54.2 p30 -87.79 -2.87 58.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.519 -179.837 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.432 ' O ' ' OD1' ' A' ' 137' ' ' ASN . . . 92.03 1.47 70.0 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.433 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 6.3 m-85 -144.53 149.95 36.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.7 mt -97.85 115.2 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.556 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -89.49 148.98 23.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.224 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.19 -43.75 32.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.352 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.8 t -58.63 -40.78 84.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.386 . . . . 0.0 110.505 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.452 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 83.1 mt-10 -65.24 -51.87 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.101 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.6 tp -67.61 -26.79 66.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.365 179.655 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -78.62 -45.54 21.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.144 179.556 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -56.75 -48.71 77.2 Favored 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.659 0.599 . . . . 0.0 109.657 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 109' ' ' MET . 52.0 t -63.04 -62.92 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.738 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' VAL . 1.4 mmt -31.8 -73.2 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.055 0.455 . . . . 0.0 111.046 -179.366 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.429 ' C ' ' H ' ' A' ' 112' ' ' LEU . 15.7 tt -51.25 -45.5 32.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.753 -179.265 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.418 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 24.8 t-20 -54.09 -12.01 0.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.541 -179.512 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' A' ' 110' ' ' ILE . 88.3 mt -99.45 11.03 40.25 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.735 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.72 -55.09 1.4 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.77 111.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.817 0.342 . . . . 0.0 110.5 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -94.59 118.16 31.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.263 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 66.2 mt -110.49 136.66 49.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.424 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.2 p -69.73 168.31 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.515 -179.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -64.23 -23.48 67.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.298 -179.769 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -71.3 -46.48 60.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.942 0.401 . . . . 0.0 110.688 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.23 -44.35 84.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.62 -48.42 86.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.25 -27.05 68.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.986 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -67.71 -63.38 1.07 Allowed 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.984 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 5.0 ttp -53.24 -56.44 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.574 -178.103 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.1 tt -50.96 -38.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.454 -179.377 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -67.98 -35.74 78.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.76 178.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -77.79 -54.71 6.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.67 -38.45 46.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.705 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.551 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 37.4 t0 -69.58 108.18 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.02 -44.03 55.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.688 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.526 ' O ' ' O ' ' A' ' 132' ' ' GLY . 32.9 p30 -89.56 2.09 55.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.038 -179.104 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.526 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 48.44 113.11 0.01 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.352 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.551 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.3 m-20 -153.5 -12.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.238 -0.566 . . . . 0.0 110.657 179.817 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.73 -9.15 55.25 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -144.22 149.8 36.94 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.821 0.344 . . . . 0.0 110.397 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.4 t -100.14 124.48 53.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.287 0.565 . . . . 0.0 110.734 179.577 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 98' ' ' GLY . 54.8 t30 -86.73 155.8 20.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.413 179.346 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -51.08 -42.24 60.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.109 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -61.1 -44.52 97.23 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.52 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.425 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 97.5 mt-10 -66.05 -41.94 90.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.154 179.471 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -61.75 -48.13 82.07 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.128 0.49 . . . . 0.0 110.345 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 28.1 t -60.98 -45.07 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.184 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -59.9 -36.04 76.13 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.22 -179.112 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 ttp -70.62 -30.28 66.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.979 0.418 . . . . 0.0 110.679 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.8 mmt -73.48 -27.16 61.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.009 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.465 0.313 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.541 -179.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.517 ' O ' ' SD ' ' A' ' 124' ' ' MET . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.654 ' NH1' HE22 ' B' ' 21' ' ' GLN . 8.6 tmm_? -57.46 -39.05 75.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.439 -179.823 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.654 HE22 ' NH1' ' B' ' 20' ' ' ARG . 94.4 mm-40 -63.44 -41.87 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.279 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -64.38 -39.31 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.283 179.578 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 2.8 m95 -62.25 -49.93 73.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.021 0.438 . . . . 0.0 110.011 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -65.57 -36.97 85.33 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.879 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 50.9 m -60.5 -43.74 96.71 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.197 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 23' ' ' TRP . 89.5 p -60.57 -43.28 97.49 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.286 179.819 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.402 ' O ' HG12 ' B' ' 30' ' ' VAL . 95.0 t -70.88 -41.34 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.601 0.715 . . . . 0.0 110.721 179.501 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.2 t -70.44 -39.61 74.25 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.303 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 65.5 mt -65.65 -43.62 93.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.754 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.402 HG12 ' O ' ' B' ' 27' ' ' VAL . 0.3 OUTLIER -63.29 -37.65 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.974 -179.424 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.559 ' NZ ' ' OE1' ' A' ' 84' ' ' GLU . 9.6 ttmm -77.01 -37.28 55.33 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.754 -179.302 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -78.78 -16.0 57.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.062 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' B' ' 34' ' ' ALA . 24.1 ttm180 -89.75 -58.34 2.55 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.22 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 33.05 57.8 0.46 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.41 0.444 . . . . 0.0 110.896 -179.41 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -60.76 -6.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.169 -178.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.459 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 28.8 ptt180 -107.53 -4.46 18.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.539 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 1.5 m-85 66.18 48.43 1.68 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.621 -179.439 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -45.56 -31.37 1.8 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.851 0.358 . . . . 0.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 39' ' ' MET . . . . . 0.558 ' SD ' ' SD ' ' A' ' 72' ' ' MET . 45.7 mtt -68.22 -65.4 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.718 -179.486 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.92 -42.3 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.395 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -53.62 -45.56 70.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.197 -179.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -64.43 -40.61 96.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.335 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.408 -179.816 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.913 0.387 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.471 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 49.2 mp0 -55.7 -25.91 42.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.42 -179.712 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -53.27 -61.04 2.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.549 -179.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -47.92 -42.01 26.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.266 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.49 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 1.3 mp -68.97 -42.1 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.323 179.151 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.78 -50.05 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.229 -179.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -59.74 -47.54 85.26 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.449 -0.5 . . . . 0.0 109.897 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.12 -43.36 99.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.55 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -63.72 -40.74 97.5 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.497 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -56.95 -50.87 71.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.269 -179.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.34 77.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.159 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.7 -48.39 80.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.406 179.218 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.93 -33.32 63.54 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.75 -46.39 75.55 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.905 179.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -64.01 -36.17 83.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.656 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 58.8 t0 -92.04 80.18 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.26 0.553 . . . . 0.0 110.878 -179.254 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -64.85 -31.4 72.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.291 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 23' ' ' GLY . 54.3 p-10 -101.44 33.99 2.74 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.133 -179.212 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.511 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.6 57.76 0.01 OUTLIER Glycine 0 C--N 1.351 1.412 0 O-C-N 124.052 0.845 . . . . 0.0 111.857 179.338 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 21.6 p-10 -88.95 -25.38 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.393 . . . . 0.0 110.522 -178.753 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 111.02 -15.61 28.26 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' OD2' ' A' ' 24' ' ' ASP . 2.3 m -145.06 134.24 22.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.105 0.478 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.7 mt -80.9 124.0 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.3 m -94.88 152.69 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.624 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.4 t -45.98 -43.97 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.192 -179.563 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -61.81 -51.88 66.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.571 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -56.19 -46.41 79.4 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 2.8 tm? -64.01 -43.68 94.92 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.247 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.98 77.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.967 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.3 m -58.27 -43.49 87.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.513 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.4 t -58.76 -47.04 90.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.514 -179.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.7 mt -61.09 -42.46 93.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.892 0.377 . . . . 0.0 110.213 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -54.02 -41.7 68.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.19 -179.375 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -88.43 16.08 6.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.501 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.13 8.61 6.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.986 179.42 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -176.43 -105.36 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.46 ' CG ' ' H ' ' A' ' 42' ' ' ASN . 1.4 pt20 -129.56 -106.64 0.29 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.661 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.46 ' H ' ' CG ' ' A' ' 41' ' ' GLN . 39.6 t30 -163.02 76.3 1.89 Allowed Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.444 -179.788 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 42' ' ' ASN . 50.3 Cg_exo -54.65 -140.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 123.034 2.49 . . . . 0.0 111.892 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 t -129.5 148.98 51.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.4 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -65.17 -29.98 70.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -54.44 -47.13 73.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -60.29 -68.92 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.0 mt -46.25 -46.22 17.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.232 -179.01 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -57.97 -41.16 82.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.305 179.333 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -66.32 -49.06 68.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.625 179.522 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.8 ttm -62.89 -47.95 81.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.524 -179.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.453 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 33.8 mm -64.9 -27.42 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.236 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.4 t -82.95 -38.91 22.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.945 0.403 . . . . 0.0 111.415 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -57.97 -35.87 71.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.886 -178.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 57' ' ' ALA . 62.1 t -91.96 -52.86 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.119 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 52' ' ' ILE . 37.4 m-20 -37.43 96.35 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.976 0.417 . . . . 0.0 110.776 -179.528 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -87.36 6.64 32.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.571 179.41 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 59' ' ' GLY . 35.3 p-10 -128.58 17.9 6.35 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.6 39.91 0.04 OUTLIER Glycine 0 N--CA 1.469 0.864 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.759 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 43.5 p-10 -84.87 -29.03 25.59 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.617 0.246 . . . . 0.0 110.65 -179.336 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 90.92 2.4 71.82 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.462 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 22.6 p -137.59 156.89 47.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.709 0.29 . . . . 0.0 110.358 179.743 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.7 mt -103.61 128.05 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.044 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 97.0 mt-10 -101.63 162.24 13.05 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.32 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -42.23 -51.05 4.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 0.0 110.863 -179.356 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -61.48 -37.41 83.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.178 0.513 . . . . 0.0 110.085 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HB2' ' H ' ' A' ' 64' ' ' GLU . 77.2 mt-10 -74.51 -42.06 59.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.669 179.286 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 24.2 t80 -59.8 -44.52 93.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.8 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 73' ' ' ALA . 1.4 tt -60.31 -45.86 91.92 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.305 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.4 t -56.09 -41.89 75.87 Favored 'General case' 0 C--O 1.255 1.356 0 CA-C-O 122.101 0.953 . . . . 0.0 110.535 179.612 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -49.98 74.74 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.187 -179.434 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.0 mmt -85.39 -10.75 55.84 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.536 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -58.26 -31.67 67.64 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.47 -6.73 7.93 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.043 178.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt 68.16 -110.75 0.11 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.715 0.634 . . . . 0.0 111.04 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.6 p -134.64 -53.25 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.503 ' O ' ' C ' ' A' ' 78' ' ' ASP . 62.1 tttm 174.35 144.56 0.05 Allowed 'General case' 0 CA--C 1.517 -0.29 0 O-C-N 123.677 0.611 . . . . 0.0 109.823 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' A' ' 77' ' ' LYS . 91.4 m-20 -18.45 -73.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.067 0.854 . . . . 0.0 111.242 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.538 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 2.1 m -162.67 -139.15 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 177.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.538 ' CG ' ' O ' ' A' ' 79' ' ' THR . 35.5 m-20 127.49 116.32 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 O-C-N 125.754 1.909 . . . . 0.0 111.094 179.219 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.32 -54.09 6.9 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.193 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -53.9 -25.2 19.03 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.205 -179.456 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -79.71 -62.57 1.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.868 179.848 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.99 -36.32 82.99 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.669 -179.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.2 tp -67.18 -40.33 86.56 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.145 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -81.98 -48.31 11.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.244 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -60.13 -30.98 69.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.273 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.07 -59.1 3.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.202 179.285 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 1.1 t80 -59.1 -31.07 68.59 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.07 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -65.47 -36.92 85.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -178.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.2 t -75.74 -57.98 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -55.84 -43.94 77.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 11.9 t0 -84.53 65.24 8.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.062 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -44.84 -55.88 5.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.605 -178.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -76.85 0.95 18.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 -178.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.426 ' OE1' ' CE1' ' A' ' 89' ' ' PHE . 12.9 mm100 48.11 23.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.457 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -53.76 -11.83 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.594 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.427 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.88 -9.62 55.26 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 1.8 m-85 -138.32 145.29 41.0 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 120.62 0.248 . . . . 0.0 110.374 -179.662 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -89.14 116.38 30.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.476 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 4.6 p -84.97 152.12 23.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.166 179.654 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.21 81.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.78 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.2 m -59.39 -42.88 92.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.79 0.328 . . . . 0.0 110.638 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.476 ' H ' ' HG ' ' A' ' 101' ' ' SER . 70.7 mt-10 -65.9 -54.0 32.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.469 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.31 -24.64 65.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.412 179.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -80.68 -41.87 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.926 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.694 ' CE1' HD22 ' A' ' 111' ' ' ASN . 83.6 t60 -55.31 -52.2 64.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.495 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 109' ' ' MET . 6.5 t -62.34 -62.64 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 120.199 -0.6 . . . . 0.0 110.033 179.43 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.463 ' CE ' ' OG ' ' B' ' 26' ' ' SER . 0.6 OUTLIER -32.16 -74.8 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.125 0.488 . . . . 0.0 111.179 -179.182 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 20.3 tt -52.28 -47.85 44.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.076 -178.804 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.694 HD22 ' CE1' ' A' ' 107' ' ' HIS . 45.7 m-20 -50.83 -12.86 0.12 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.755 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.486 ' O ' ' C ' ' A' ' 113' ' ' GLY . 7.4 mp -106.77 82.26 1.68 Allowed 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 18.23 60.1 0.01 OUTLIER Glycine 0 N--CA 1.471 0.967 0 O-C-N 124.329 1.018 . . . . 0.0 111.997 179.071 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -145.93 120.71 9.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.245 0.545 . . . . 0.0 110.601 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -95.68 93.34 7.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.534 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.11 140.14 44.51 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.361 -179.733 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.8 p -88.4 177.82 6.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.379 179.371 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 18.5 p-10 -65.57 -28.59 69.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 179.743 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.97 -53.62 14.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -53.38 -41.18 65.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.002 0.43 . . . . 0.0 110.308 -179.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 82.9 t -64.78 -43.94 96.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.237 0.541 . . . . 0.0 110.128 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.31 -22.04 64.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.424 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -75.13 -57.42 3.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.647 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.497 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 21.3 ptm -58.69 -45.06 90.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 -178.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.497 ' N ' ' CG ' ' A' ' 124' ' ' MET . 3.6 tp -64.63 -41.33 91.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.747 -178.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.454 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 37.1 ttmt -63.63 -45.01 92.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.761 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -73.48 -47.54 40.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.64 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -61.89 -29.03 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.44 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 68.5 t0 -85.14 107.55 17.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.53 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.516 ' N ' ' CD2' ' A' ' 130' ' ' LEU . 3.9 mm? -64.17 -40.2 95.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.65 -179.624 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.46 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 23.5 m-20 -84.42 1.92 43.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.211 -179.572 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.02 31.35 0.46 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.7 p30 -84.93 -1.84 57.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.655 0.264 . . . . 0.0 110.519 -179.663 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.01 17.84 58.79 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -149.55 155.15 39.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.068 0.461 . . . . 0.0 110.421 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.0 t -125.88 125.78 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.455 179.224 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -91.15 158.08 16.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.361 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -51.2 -42.26 60.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.42 -46.75 85.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.438 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.46 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 96.5 mt-10 -65.86 -36.7 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.042 179.406 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -60.93 -47.83 84.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.34 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.68 -45.05 94.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.069 -179.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -64.09 -31.25 72.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.632 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.418 ' SD ' ' O ' ' A' ' 144' ' ' MET . 8.1 tpt -74.72 -28.57 60.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.296 179.67 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 9.3 ttm -92.04 -26.75 18.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.147 -179.296 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 59.0 mtt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.7 -179.964 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.455 ' H2 ' ' H ' ' B' ' 20' ' ' ARG . . . . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.455 ' H ' ' H2 ' ' B' ' 19' ' ' ALA . 36.9 ptt180 -62.1 -39.8 93.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -67.7 -37.06 81.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.427 ' O ' ' OG ' ' B' ' 26' ' ' SER . 13.5 mmp_? -61.26 -43.49 98.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.196 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.64 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.3 m95 -64.19 -49.75 70.82 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.218 0.532 . . . . 0.0 110.247 179.823 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -65.15 -36.32 83.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.909 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 38.8 t -62.05 -42.62 99.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.185 179.413 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.463 ' OG ' ' CE ' ' A' ' 109' ' ' MET . 1.1 m -60.04 -43.76 95.11 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.316 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.01 -43.84 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.736 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.2 m -67.68 -43.78 79.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.478 -179.234 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 33' ' ' ARG . 77.8 mt -63.23 -42.18 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 25.1 t -58.85 -45.11 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.1 -179.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -67.65 -40.75 84.54 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.936 -179.186 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.7 -23.85 56.2 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.118 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' B' ' 29' ' ' ILE . 75.7 ttt180 -60.63 -52.11 66.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.451 -179.506 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.521 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 19.57 51.47 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.068 0.855 . . . . 0.0 111.491 -179.575 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' B' ' 33' ' ' ARG . 47.7 ttm-85 -69.4 8.47 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.072 -178.378 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' B' ' 34' ' ' ALA . 78.3 mtm180 -126.38 5.12 6.95 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.607 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' B' ' 41' ' ' SER . 0.2 OUTLIER 57.8 66.46 1.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.194 0.521 . . . . 0.0 110.006 179.36 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 81.1 mtm-85 -58.16 -37.88 75.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.219 -179.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 24.2 ttt -60.95 -63.14 1.4 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.37 -43.45 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.703 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 38.3 t -59.7 -44.44 93.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.265 -179.426 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.513 ' O ' ' C ' ' B' ' 43' ' ' LEU . 15.5 t-20 -81.51 -14.71 56.62 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.251 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.513 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.798 0 O-C-N 124.159 0.912 . . . . 0.0 111.888 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.915 0.388 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.37 -25.65 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.395 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -57.9 -56.06 26.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.102 0.477 . . . . 0.0 109.726 179.637 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.589 HE22 ' ND2' ' B' ' 32' ' ' ASN . 91.7 mm-40 -46.91 -42.91 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.267 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.419 HG21 HD12 ' A' ' 9' ' ' ILE . 43.7 mm -64.72 -42.6 95.45 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.479 178.861 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.0 t -60.36 -50.25 81.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.249 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.71 -49.06 78.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.112 0.482 . . . . 0.0 110.2 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -61.38 -44.33 97.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.943 179.131 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -61.04 -35.93 78.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.395 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -63.29 -50.26 70.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.172 179.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.33 -36.72 64.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.15 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.529 ' CE1' ' OD2' ' A' ' 20' ' ' ASP . 33.2 t80 -63.42 -46.41 86.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.721 179.001 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.45 -39.31 92.77 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.302 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.18 -51.68 65.39 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.721 -179.612 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -58.44 -34.07 70.42 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.072 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.529 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 46.4 m-20 -97.91 74.04 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -62.53 -19.86 64.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.551 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 23' ' ' GLY . 44.9 p30 -108.02 31.98 5.11 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.682 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.73 57.31 0.01 OUTLIER Glycine 0 N--CA 1.473 1.115 0 O-C-N 124.156 0.91 . . . . 0.0 111.643 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' ASP . 26.1 p-10 -86.37 -24.89 25.63 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.925 0.393 . . . . 0.0 110.418 -179.791 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.67 -24.27 10.42 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 3.7 m -134.27 168.33 19.07 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.392 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.1 mt -112.9 117.62 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.264 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -82.17 -172.88 4.21 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.572 -179.666 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 28' ' ' THR . 61.1 t -82.49 -44.95 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.518 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.56 -44.2 96.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.544 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 46.0 mt-10 -60.25 -47.38 86.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.313 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tp -60.99 -40.02 91.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.19 95.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.236 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.2 m -56.74 -47.1 80.81 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.287 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.53 -44.09 92.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.195 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.426 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 86.6 mt -61.91 -42.72 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.42 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -53.7 -41.46 66.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.246 -179.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.7 t -90.58 21.41 4.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.63 179.279 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.45 -2.6 8.45 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.553 ' CG ' ' H ' ' A' ' 41' ' ' GLN . 8.9 p30 -178.19 -95.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.417 -179.712 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.553 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 3.4 pt20 -131.55 -110.4 0.25 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.974 -179.836 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 0.7 OUTLIER -162.36 93.4 1.27 Allowed Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.447 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -77.73 -171.07 1.08 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.553 2.169 . . . . 0.0 111.88 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.497 ' HG1' ' H ' ' A' ' 46' ' ' GLU . 4.4 t -87.69 147.08 25.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.545 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -66.23 -18.55 65.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.497 ' H ' ' HG1' ' A' ' 44' ' ' THR . 83.0 tt0 -64.79 -45.34 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.814 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.5 -21.24 65.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.622 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.67 -52.55 8.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.072 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -70.77 -27.08 63.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.327 -179.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -69.45 -55.28 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.706 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.5 -39.7 85.19 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.573 -179.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -68.71 -20.95 25.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.601 -179.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.7 t -85.88 -32.93 21.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -65.22 -43.28 92.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.714 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.4 t -80.77 -47.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.433 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 60.8 t0 -62.28 99.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.635 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.591 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -49.17 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.925 -179.597 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 59' ' ' GLY . 53.2 p-10 -67.53 17.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.559 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.591 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 21.83 61.53 0.02 OUTLIER Glycine 0 C--N 1.346 1.092 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.355 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 62' ' ' THR . 51.3 p30 -97.11 24.65 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.298 -179.048 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.77 14.68 7.78 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 40.7 p -140.89 152.43 45.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 110.429 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.0 mt -115.62 133.08 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.308 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -99.02 157.75 16.13 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.327 179.438 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -44.11 -47.49 8.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.639 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.0 -37.08 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.051 0.453 . . . . 0.0 110.304 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -73.53 -43.2 60.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.759 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -61.7 -43.52 98.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.039 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 73' ' ' ALA . 2.6 tt -59.63 -48.66 80.79 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.806 -179.734 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.9 m -54.2 -41.57 68.77 Favored 'General case' 0 C--O 1.252 1.233 0 CA-C-O 122.077 0.942 . . . . 0.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.81 -47.59 85.67 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.546 -179.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.3 mmt -81.47 -17.34 49.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.296 179.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -56.15 -29.31 60.58 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.833 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 75' ' ' LYS . 99.0 mttt -64.01 -10.18 20.2 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.437 178.431 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.625 ' O ' ' N ' ' A' ' 77' ' ' LYS . 18.6 pttp 11.75 98.71 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 O-C-N 124.176 0.922 . . . . 0.0 110.972 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.605 ' C ' ' O ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER 0.1 -67.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 123.821 0.701 . . . . 0.0 111.095 -179.097 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.625 ' N ' ' O ' ' A' ' 75' ' ' LYS . 83.0 tttt 103.02 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.213 1.571 . . . . 0.0 110.555 179.01 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 79' ' ' THR . 32.9 p-10 -174.07 -43.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.617 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.504 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 69.3 p 52.38 -129.25 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.474 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -75.04 151.31 38.73 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.469 0.652 . . . . 0.0 110.85 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.63 -53.27 23.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.36 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -54.52 -17.76 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -80.36 -57.54 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 179.372 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -68.77 -36.98 79.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.105 0.478 . . . . 0.0 110.509 -179.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.15 -38.23 85.15 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.941 -179.383 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -83.89 -38.99 20.4 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -57.15 -44.71 83.7 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.77 -58.53 5.98 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.605 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.515 ' CE1' ' OD2' ' A' ' 93' ' ' ASP . 54.3 t80 -49.64 -41.99 43.92 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.492 179.714 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -62.06 -36.92 83.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 -179.491 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.2 t -74.55 -56.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.782 -179.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -59.89 -47.38 85.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.126 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.515 ' OD2' ' CE1' ' A' ' 89' ' ' PHE . 5.0 t0 -79.66 55.59 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.651 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -41.28 -61.79 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.348 -178.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 2.4 p-10 -68.85 -1.77 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.595 -178.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 93' ' ' ASP . 88.5 mt-30 43.49 44.29 4.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.433 179.444 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 52.4 p-10 -82.37 -4.75 57.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.611 -179.617 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.08 -7.35 64.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.429 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 5.3 m-85 -139.34 144.92 38.45 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.807 0.303 . . . . 0.0 110.286 -179.763 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mt -95.4 119.06 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.122 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.8 t -91.93 150.34 21.08 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.676 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.39 -43.45 54.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.445 -179.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.6 t -58.78 -40.66 84.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.535 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -65.46 -51.72 58.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.222 0.534 . . . . 0.0 110.001 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.15 -25.31 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.318 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -80.87 -46.2 15.63 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -52.81 -51.09 62.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' A' ' 109' ' ' MET . 37.2 t -62.56 -62.43 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.925 179.589 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.489 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -30.01 -75.72 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.929 0.395 . . . . 0.0 110.483 -179.583 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.535 ' C ' ' H ' ' A' ' 112' ' ' LEU . 8.7 tp -47.51 -44.12 9.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.611 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 108' ' ' VAL . 4.6 t-20 -49.66 -11.21 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.862 0.363 . . . . 0.0 110.526 -179.65 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.535 ' H ' ' C ' ' A' ' 110' ' ' ILE . 67.7 mt -98.68 7.62 45.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.662 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 79.62 21.87 65.6 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.4 tp10 -103.58 127.31 51.02 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.942 0.401 . . . . 0.0 110.202 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -92.56 96.93 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.985 0.421 . . . . 0.0 111.129 -179.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.4 mt -121.07 129.44 53.34 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.765 179.211 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 76.6 p -77.01 167.67 21.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.513 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.12 -24.72 67.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.364 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -67.32 -49.82 62.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.291 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.435 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 11.9 tm-20 -62.86 -41.87 99.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.151 0.5 . . . . 0.0 110.54 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.8 t -63.32 -43.22 98.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.293 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -64.17 -32.76 74.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.303 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -64.31 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.869 -179.51 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 124' ' ' MET . 3.7 ppp? -56.53 -32.08 64.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.31 -44.25 94.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.368 -179.699 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -70.76 -24.01 62.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.614 -179.465 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -78.57 -52.44 8.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.468 ' HB3' ' HE1' ' B' ' 23' ' ' TRP . . . -57.44 -43.66 84.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.456 -179.618 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.73 107.95 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.268 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.42 -26.43 22.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.624 -179.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -88.72 -6.71 57.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.487 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.21 88.81 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 37.3 p30 -142.1 -21.82 0.7 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.638 0.256 . . . . 0.0 110.691 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 98.6 2.42 57.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -149.3 133.21 17.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.946 0.403 . . . . 0.0 110.565 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.2 t -83.32 124.31 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.46 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.95 159.91 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.587 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -50.84 -41.44 57.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.211 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.68 -51.32 70.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.018 0.437 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.21 -34.6 76.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.024 178.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -61.75 -49.22 77.28 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.299 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.28 -46.42 88.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.135 -179.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.73 -29.93 69.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.486 179.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.3 tpt -70.72 -29.34 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.441 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.607 ' O ' ' O ' ' A' ' 146' ' ' MET . 3.7 ttm -91.97 -15.84 27.4 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.228 -179.382 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.607 ' O ' ' O ' ' A' ' 145' ' ' MET . 1.9 mtt . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 121.657 0.742 . . . . 0.0 110.855 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.409 ' H2 ' ' H ' ' B' ' 20' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.409 ' H ' ' H2 ' ' B' ' 19' ' ' ALA . 32.2 ptt180 -61.48 -34.05 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.606 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -63.92 -43.51 95.72 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.382 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.443 ' O ' ' OG ' ' B' ' 26' ' ' SER . 11.9 mmt85 -63.18 -44.81 94.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.797 0.332 . . . . 0.0 110.501 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.468 ' HE1' ' HB3' ' A' ' 128' ' ' ALA . 2.1 m95 -66.27 -46.42 77.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.211 179.43 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -66.81 -39.94 87.89 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.124 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.8 t -61.78 -42.54 99.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.247 179.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' B' ' 22' ' ' ARG . 4.3 m -60.05 -44.04 94.97 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.29 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.81 -43.42 79.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.894 0.378 . . . . 0.0 110.597 179.684 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -65.88 -45.06 83.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.426 -179.25 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.6 -41.66 92.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.98 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.54 -44.25 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.1 179.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.4 ' HZ1' HH12 ' B' ' 38' ' ' ARG . 35.7 mmtt -64.8 -44.66 89.2 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.687 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . 0.589 ' ND2' HE22 ' A' ' 8' ' ' GLN . 37.9 t30 -65.4 -34.11 77.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.93 179.348 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 33' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' B' ' 34' ' ' ALA . 78.7 ttt180 -57.83 -58.67 7.37 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.578 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.552 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 29.64 44.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.535 0.522 . . . . 0.0 111.036 -179.444 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -60.02 -1.22 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.084 -179.301 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.552 ' H ' ' C ' ' B' ' 34' ' ' ALA . 49.1 mmm-85 -107.49 -4.71 18.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 -179.521 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . 0.475 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.4 OUTLIER 62.5 78.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.967 179.314 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.4 HH12 ' HZ1' ' B' ' 31' ' ' LYS . 81.2 mtp180 -58.39 -37.73 75.88 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.421 -179.127 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 59.4 mmm -67.25 -60.06 2.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.128 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.6 -42.95 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.752 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 43.6 t -57.14 -44.92 83.84 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.298 -179.353 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.475 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 9.3 t-20 -78.89 -40.89 31.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.376 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.475 ' OXT' ' O ' ' B' ' 42' ' ' ASN . 5.8 tt . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.145 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.3 t0 54.34 64.75 1.71 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.49 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.02 -67.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.1 mt 55.54 106.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.351 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.464 ' HG ' ' N ' ' A' ' 6' ' ' GLU . 31.4 t -128.18 176.75 7.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.404 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.464 ' N ' ' HG ' ' A' ' 5' ' ' SER . 95.4 mt-10 -51.2 -24.67 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.505 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.48 -27.98 64.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.063 0.459 . . . . 0.0 110.754 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -77.32 -55.25 5.56 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.568 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.5 mt -64.51 -32.59 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.188 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.0 t -62.43 -50.56 79.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -53.94 -48.0 70.7 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.555 -0.458 . . . . 0.0 109.83 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.43 ' CZ ' ' O ' ' B' ' 32' ' ' ASN . 44.4 m-85 -66.84 -41.32 87.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.563 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -59.79 -43.78 94.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.222 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -60.23 -51.24 70.43 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.337 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.91 88.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.052 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 29.8 t80 -54.4 -49.51 69.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.076 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.85 -34.06 56.84 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.63 -43.35 93.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.166 0.508 . . . . 0.0 110.652 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -37.85 88.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.499 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -96.05 81.47 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.439 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -54.68 -38.96 67.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.054 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.564 ' O ' ' C ' ' A' ' 23' ' ' GLY . 5.1 p30 -93.61 38.07 1.06 Allowed 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 4.41 68.86 0.01 OUTLIER Glycine 0 N--CA 1.466 0.668 0 O-C-N 123.729 0.643 . . . . 0.0 112.015 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 22' ' ' ASP . 75.1 m-20 -91.15 -23.31 20.3 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.59 -27.7 8.66 Favored Glycine 0 N--CA 1.465 0.613 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 m -135.46 130.85 35.38 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.05 0.452 . . . . 0.0 110.677 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.0 mt -76.26 136.25 25.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.571 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.4 m -106.07 154.87 20.03 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.618 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.1 t -51.43 -44.51 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.085 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -58.84 -58.12 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.469 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 83.5 mt-10 -55.64 -41.66 73.9 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -62.2 -40.52 96.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.061 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.5 96.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.3 m -58.76 -47.75 83.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.367 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.49 -46.02 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.598 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.3 -43.98 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -59.42 -34.82 72.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.22 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 m -89.9 21.68 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.257 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -109.7 12.35 24.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 2.4 m-20 81.45 20.68 0.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 123.303 0.377 . . . . 0.0 110.632 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -157.31 153.61 27.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.28 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.517 ' C ' HD21 ' A' ' 42' ' ' ASN . 0.2 OUTLIER -141.05 77.86 20.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 0.0 110.692 -179.704 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.86 156.88 59.56 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.931 2.421 . . . . 0.0 111.95 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 47' ' ' GLU . 9.3 t -63.84 141.21 58.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.732 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.579 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 1.6 pm0 -63.31 -22.93 67.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.419 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -56.39 -64.17 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.772 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' H ' HG22 ' A' ' 44' ' ' THR . 12.1 pt-20 -62.7 -31.79 72.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.367 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tp -63.21 -47.54 82.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.597 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.05 -42.4 72.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.88 -42.34 85.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -62.15 -43.62 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.572 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.9 mm -65.15 -44.55 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.796 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.5 t -70.83 -23.14 62.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.649 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -63.7 -43.56 96.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.682 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.55 -49.75 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.608 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.5 104.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.775 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.603 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -48.68 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.416 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.529 ' O ' ' C ' ' A' ' 59' ' ' GLY . 41.9 p30 -64.29 10.57 0.06 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.874 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.603 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 19.96 59.98 0.01 OUTLIER Glycine 0 C--N 1.344 1.008 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.4 p-10 -76.03 -14.35 60.21 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.517 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.09 1.66 45.08 Favored Glycine 0 N--CA 1.463 0.437 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -139.93 146.31 39.04 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.945 0.403 . . . . 0.0 110.369 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.1 mt -95.36 121.62 46.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.532 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -84.65 159.54 20.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.088 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -47.85 -50.01 27.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -57.29 -38.29 73.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.849 0.357 . . . . 0.0 110.249 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -71.42 -45.74 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.584 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.36 -45.32 93.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.035 0.445 . . . . 0.0 110.279 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.4 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 1.2 tt -57.72 -63.07 1.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.377 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.0 t -57.96 -41.2 82.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.74 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.0 tp -46.68 -57.01 5.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.819 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.9 mmm -79.44 -53.34 6.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.58 -39.46 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -71.68 -60.67 2.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.78 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -72.73 107.81 5.38 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 56.0 t -157.28 73.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.907 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.418 ' HG3' ' H ' ' A' ' 78' ' ' ASP . 11.9 pttm -122.17 -99.17 0.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.469 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.418 ' H ' ' HG3' ' A' ' 77' ' ' LYS . 67.1 t0 -176.38 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.413 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 0.4 OUTLIER 73.28 -8.56 1.3 Allowed 'General case' 0 CA--C 1.53 0.185 0 O-C-N 123.45 0.469 . . . . 0.0 110.409 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 79' ' ' THR . 73.2 m-20 -152.24 104.7 2.97 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 110.107 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.06 -55.28 11.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.037 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -52.33 -20.98 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.914 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -81.21 -51.89 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.7 ' N ' HH22 ' B' ' 38' ' ' ARG . 3.0 tm-20 -71.92 -39.22 69.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.816 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.9 -37.01 83.56 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.387 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -84.65 -43.89 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.06 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -57.3 -45.74 83.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.082 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.97 -57.42 11.78 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.047 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -53.28 -40.71 64.91 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.47 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -58.07 -38.4 76.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.2 t -73.78 -46.12 48.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -63.46 -49.68 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.449 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' A' ' 96' ' ' GLN . 34.2 t0 -89.59 57.77 4.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.262 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.412 ' HZ1' HH22 ' B' ' 35' ' ' ARG . 3.9 tptt -39.43 -56.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.228 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -66.14 -8.97 27.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 93' ' ' ASP . 27.6 mt-30 49.06 61.63 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.283 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.451 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 37.1 p-10 -103.45 -5.9 22.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.519 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 99' ' ' TYR . . . 96.8 -0.67 61.01 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 6.0 m-85 -141.05 146.01 36.6 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.722 0.296 . . . . 0.0 110.294 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 mt -95.23 113.91 30.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 p -85.4 145.6 27.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.278 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -48.51 -45.54 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.1 p -57.94 -43.68 86.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.9 0.381 . . . . 0.0 111.045 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.11 -43.88 90.6 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.117 0.484 . . . . 0.0 110.167 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.8 tp -73.23 -27.25 61.49 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 102' ' ' ALA . 53.8 ttp180 -63.02 -46.09 89.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.503 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.433 ' C ' ' H ' ' A' ' 109' ' ' MET . 27.6 t-80 -67.89 -56.99 7.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.003 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.6 t -48.76 -16.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.433 ' H ' ' C ' ' A' ' 107' ' ' HIS . 5.3 tpt -90.25 -78.48 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.869 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.528 ' C ' ' H ' ' A' ' 112' ' ' LEU . 17.4 tt -50.91 -36.94 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.257 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 107' ' ' HIS . 27.8 t-20 -52.04 -9.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.493 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 110' ' ' ILE . 92.2 mt -104.81 7.46 34.54 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.75 59.91 1.94 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -149.09 120.68 8.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -97.69 99.64 11.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.376 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.3 mp -89.32 171.18 9.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.241 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.443 ' H ' ' HB2' ' A' ' 120' ' ' GLU . 59.4 p -120.3 164.29 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.443 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 34.0 p-10 -48.8 -43.84 38.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.64 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.0 mt-10 -64.87 -45.07 87.55 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.804 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.443 ' HB2' ' H ' ' A' ' 117' ' ' THR . 97.3 mt-10 -65.73 -40.2 91.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.524 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.22 -42.33 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.362 0.601 . . . . 0.0 110.268 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 95.8 mt-10 -62.39 -60.25 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.401 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.29 -26.36 68.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.527 0.679 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.467 ' SD ' ' CD ' ' B' ' 22' ' ' ARG . 4.7 tpt -59.26 -52.03 67.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.778 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.7 tt -93.42 -37.75 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 65.1 tttm -60.19 -28.72 68.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.961 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -68.95 -50.4 49.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.664 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.02 81.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.173 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 64.5 t0 -63.84 104.52 0.7 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.492 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 52.3 mt -75.09 -28.04 60.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.741 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.441 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 13.9 m-20 -88.73 -1.67 58.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.381 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.23 27.66 24.46 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.532 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.7 p-10 -88.63 19.29 4.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.772 0.32 . . . . 0.0 110.397 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.0 16.57 57.6 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -147.72 152.84 38.46 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.121 0.486 . . . . 0.0 110.45 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.3 t -117.67 124.7 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.545 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.549 HD21 ' H ' ' A' ' 137' ' ' ASN . 0.4 OUTLIER -86.93 156.66 19.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.457 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -53.12 -40.22 64.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.265 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -58.42 -48.83 79.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 0.0 110.447 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 97.7 mt-10 -61.94 -37.26 84.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.461 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -61.81 -48.97 78.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.651 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.89 -46.4 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.314 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -63.65 -36.59 84.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.857 0.36 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.3 ttt -66.93 -33.64 76.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.599 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -20.99 37.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.48 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.8 mmt -83.72 -91.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.328 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 149' ' ' ARG . 9.0 m -62.67 -52.15 64.45 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.268 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.401 ' CG2' ' C ' ' A' ' 147' ' ' THR . 2.4 t 76.93 -26.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 O-C-N 123.437 0.461 . . . . 0.0 111.418 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' A' ' 147' ' ' THR . 78.8 mtp85 . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.441 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.4 ' H2 ' ' H ' ' B' ' 20' ' ' ARG . . . . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.4 ' H ' ' H2 ' ' B' ' 19' ' ' ALA . 9.2 ptm180 -68.86 -25.94 64.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.486 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -68.12 -54.02 21.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.579 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.467 ' CD ' ' SD ' ' A' ' 124' ' ' MET . 11.6 ptp180 -60.17 -39.45 86.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.81 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -49.42 74.94 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 120.511 -0.476 . . . . 0.0 109.923 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -65.88 -36.63 83.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.789 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m -60.17 -42.41 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.931 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 32.3 t -61.42 -43.56 98.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.02 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.43 -43.24 81.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.405 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.1 t -64.35 -45.05 89.48 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.38 -41.33 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.909 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 t -59.42 -40.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -59.98 -43.35 95.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.046 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . 0.43 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 84.5 m-20 -65.28 -41.64 93.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.173 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' B' ' 34' ' ' ALA . 70.8 ttt180 -68.98 -45.16 71.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.477 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 35.31 74.37 0.07 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.412 HH22 ' HZ1' ' A' ' 94' ' ' LYS . 58.4 ttp180 -67.69 -12.92 61.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.908 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.495 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 42.6 ttm180 -105.64 -8.07 18.13 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.158 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.495 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.8 OUTLIER 67.53 69.91 0.36 Allowed 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.055 0.455 . . . . 0.0 110.373 179.349 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.7 HH22 ' N ' ' A' ' 84' ' ' GLU . 62.5 mtp85 -52.91 -41.17 64.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.907 0.384 . . . . 0.0 110.515 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 8.3 tpt -65.99 -62.31 1.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.183 0.516 . . . . 0.0 111.38 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.92 -43.62 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.622 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 36.0 t -57.66 -42.24 83.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.21 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -64.19 -40.19 95.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.359 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.415 -179.854 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 16.3 p-10 -53.91 140.39 30.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.509 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.513 ' CG2' ' H ' ' A' ' 4' ' ' LEU . 21.5 mm 60.08 176.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.513 ' H ' ' CG2' ' A' ' 3' ' ' ILE . 2.1 pp -173.45 2.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.483 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.528 ' C ' ' H ' ' A' ' 7' ' ' GLU . 3.5 m -84.59 143.51 29.23 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.517 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -52.28 -8.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.656 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.547 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 16.2 mp0 -67.84 -45.11 75.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.599 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.536 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 15.6 pt20 -53.37 -49.21 67.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.536 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 37.7 mm -62.42 -41.95 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.806 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.4 t -58.35 -48.33 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.071 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.557 ' CG ' HH12 ' B' ' 33' ' ' ARG . 89.9 m-20 -52.31 -52.66 51.79 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.19 0.519 . . . . 0.0 110.039 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -62.54 -39.54 93.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.329 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -58.92 -42.73 90.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.144 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -57.52 -51.73 68.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.371 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.78 -43.48 69.3 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.389 0.614 . . . . 0.0 110.406 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -60.33 -45.35 93.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.231 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.18 -39.85 58.81 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.55 -43.11 99.63 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.525 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 22.9 m-85 -67.03 -40.83 87.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.732 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.472 ' OD2' ' O ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -89.78 74.29 7.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.898 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -58.65 -40.56 83.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.433 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.544 ' O ' ' C ' ' A' ' 23' ' ' GLY . 2.4 p30 -92.65 33.32 1.14 Allowed 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 17.43 66.67 0.01 OUTLIER Glycine 0 N--CA 1.465 0.621 0 O-C-N 123.344 0.402 . . . . 0.0 112.228 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 53.9 m-20 -92.32 -29.87 16.13 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.65 11.15 20.04 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.472 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 23.5 p -167.09 171.95 10.52 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.906 0.384 . . . . 0.0 110.53 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.1 mt -117.24 123.01 71.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.968 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.39 -167.64 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.018 0.437 . . . . 0.0 110.797 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.07 -45.63 18.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.583 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.54 -41.19 96.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.224 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 80.9 mt-10 -65.57 -49.34 69.21 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.064 0.459 . . . . 0.0 110.216 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.97 -38.83 87.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.969 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.14 94.25 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.122 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -56.87 -48.87 77.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.312 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.443 ' O ' ' OG ' ' A' ' 38' ' ' SER . 91.4 t -61.78 -45.57 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.383 . . . . 0.0 110.453 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.402 HD13 HG22 ' A' ' 36' ' ' ILE . 90.2 mt -64.3 -44.28 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.748 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -62.42 -37.77 87.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.767 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.686 ' C ' ' H ' ' A' ' 40' ' ' ASP . 78.6 p -66.33 -30.58 71.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.359 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.55 14.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.802 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.686 ' H ' ' C ' ' A' ' 38' ' ' SER . 1.4 m-20 70.59 44.11 0.7 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -146.85 158.17 43.85 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.717 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -136.56 71.41 58.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.902 0.382 . . . . 0.0 110.05 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -78.51 154.21 27.43 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.766 2.311 . . . . 0.0 112.516 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.475 HG22 ' H ' ' A' ' 46' ' ' GLU . 89.5 m -68.28 135.58 52.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.518 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -54.99 -39.6 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.496 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.475 ' H ' HG22 ' A' ' 44' ' ' THR . 71.8 mm-40 -48.95 -41.4 33.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.828 0.347 . . . . 0.0 110.335 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.38 -32.61 74.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.61 -44.44 61.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.787 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.81 -36.59 83.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.412 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.48 -49.53 66.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.636 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.2 ttp -65.88 -43.04 89.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.648 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.4 mm -66.22 -43.23 91.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.38 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -68.01 -35.4 78.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.879 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.91 -40.17 75.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.936 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.0 t -93.7 -5.98 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.216 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 44.8 t0 -77.79 98.11 5.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.57 2.07 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 26.5 p30 -129.02 12.8 6.2 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.785 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 41.37 47.57 4.59 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 62' ' ' THR . 41.2 p-10 -108.68 12.56 25.73 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 43.75 17.59 0.06 OUTLIER Glycine 0 N--CA 1.461 0.353 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 60' ' ' ASN . 10.8 p -137.53 138.65 39.85 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 111.094 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.0 mt -97.21 124.12 49.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.625 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -86.57 168.1 13.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.339 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -53.32 -47.29 69.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.486 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -59.38 -39.35 83.04 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 120.946 0.403 . . . . 0.0 110.397 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -73.28 -47.25 44.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.567 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -57.51 -44.65 85.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.001 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.17 -57.59 12.17 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.998 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.1 m -60.17 -41.7 93.4 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.2 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.8 tt -49.14 -57.99 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.635 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mmt -69.84 -42.84 73.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.179 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.99 90.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.675 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -74.71 -61.19 1.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -77.81 124.25 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.028 0.442 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.472 ' CG1' ' H ' ' A' ' 77' ' ' LYS . 11.1 t -141.65 -123.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.321 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.472 ' H ' ' CG1' ' A' ' 76' ' ' VAL . 31.8 ttpt -33.61 146.83 0.02 OUTLIER 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.191 0.307 . . . . 0.0 110.577 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.501 ' O ' ' OG1' ' A' ' 79' ' ' THR . 96.2 m-20 -130.07 22.13 5.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.455 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.501 ' OG1' ' O ' ' A' ' 78' ' ' ASP . 16.9 p 60.05 66.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.332 0.395 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -151.62 107.49 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.56 -55.28 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -53.1 -23.2 7.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.45 ' OE2' ' ND2' ' B' ' 42' ' ' ASN . 45.3 tt0 -81.29 -53.5 6.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.071 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.491 ' CD ' ' NZ ' ' B' ' 31' ' ' LYS . 85.5 tt0 -71.48 -35.05 70.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.393 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.59 -41.22 88.85 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.447 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -84.18 -46.59 11.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.221 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.93 -42.29 89.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.069 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.13 -56.39 15.2 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.15 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -57.0 -41.2 78.03 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.29 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.82 -36.55 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.284 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.5 t -74.09 -54.42 14.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.768 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 5.9 m-30 -55.71 -47.38 76.95 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 96' ' ' GLN . 37.8 t0 -85.48 62.46 7.49 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.261 0.35 . . . . 0.0 110.507 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' C ' ' H ' ' A' ' 96' ' ' GLN . 55.8 mtpt -40.61 -59.2 1.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.83 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 19.9 p-10 -63.05 -3.98 2.02 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.564 ' N ' ' O ' ' A' ' 93' ' ' ASP . 3.4 pt20 35.72 59.02 0.87 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.665 0.603 . . . . 0.0 110.721 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -100.06 3.63 44.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.21 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.22 0.25 63.45 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.423 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 4.8 m-85 -143.24 148.5 36.52 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.804 0.335 . . . . 0.0 110.402 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.5 mt -97.56 115.31 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.115 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 p -87.07 153.89 21.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.389 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.46 -44.55 89.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.719 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.3 t -61.56 -45.36 94.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -59.98 -53.06 62.25 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.175 0.512 . . . . 0.0 110.401 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.77 -20.61 65.9 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.347 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -82.14 -44.0 17.04 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.429 ' O ' ' OD1' ' A' ' 111' ' ' ASN . 4.0 m80 -54.33 -51.97 63.03 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 109' ' ' MET . 15.4 t -62.4 -63.94 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.951 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 108' ' ' VAL . 6.7 tpt -31.37 -75.59 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.737 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.516 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.59 ' C ' ' H ' ' A' ' 112' ' ' LEU . 19.7 tt -47.19 -50.62 6.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.629 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.496 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 9.1 m120 -47.15 -8.7 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.007 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.59 ' H ' ' C ' ' A' ' 110' ' ' ILE . 90.4 mt -91.61 11.98 22.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 91.99 -46.3 2.68 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -53.35 124.05 13.64 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.993 0.425 . . . . 0.0 110.297 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -98.83 103.04 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 110.468 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 mt -116.06 130.54 56.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.7 p -64.51 168.18 6.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.438 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 46.4 p-10 -66.7 -23.76 66.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.516 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.418 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.2 mt-10 -68.52 -48.43 64.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.706 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.9 -44.36 85.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.618 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.2 t -62.69 -47.87 90.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -62.86 -35.0 78.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.524 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -59.43 -54.14 50.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.618 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.49 ' C ' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -54.46 -39.73 67.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.691 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.432 ' N ' ' HG3' ' A' ' 124' ' ' MET . 2.4 mm -61.78 -41.42 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.387 -176.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -63.53 -33.56 75.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.146 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -75.93 -53.21 8.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.488 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -62.21 -37.54 85.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.398 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 56.9 t0 -74.97 105.55 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.08 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 10.6 mp -66.34 -39.89 89.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.816 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 11.7 m-20 -86.36 1.58 50.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.376 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 49.4 34.76 19.72 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.528 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 15.1 p-10 -96.7 20.41 10.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.745 0.307 . . . . 0.0 110.327 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.519 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 59.84 19.89 51.26 Favored Glycine 0 C--N 1.332 0.313 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -145.15 145.62 31.44 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.909 0.385 . . . . 0.0 110.466 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.3 t -123.54 126.33 72.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.684 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.416 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 11.5 t-20 -88.11 158.61 18.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.628 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -51.9 -41.92 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.233 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -60.37 -49.79 76.2 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.948 0.404 . . . . 0.0 110.393 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 93.2 mt-10 -60.71 -38.63 85.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.41 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -60.88 -47.32 86.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.733 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.9 t -57.88 -47.02 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.347 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -65.16 -36.52 84.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 111.08 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.429 ' SD ' ' C ' ' A' ' 144' ' ' MET . 1.0 OUTLIER -69.28 -35.25 75.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.538 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.7 ttm -75.96 -24.22 55.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.85 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.671 ' O ' ' N ' ' A' ' 148' ' ' VAL . 81.8 mmm -89.36 -151.58 0.23 Allowed 'General case' 0 C--O 1.203 -1.354 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.903 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.643 ' O ' ' HB ' ' A' ' 148' ' ' VAL . 2.8 m -2.98 -59.87 0.0 OUTLIER 'General case' 0 CA--C 1.496 -1.115 0 O-C-N 124.168 0.918 . . . . 0.0 112.085 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.671 ' N ' ' O ' ' A' ' 146' ' ' MET . 77.7 t 97.64 1.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.351 0.671 0 O-C-N 125.335 1.647 . . . . 0.0 109.633 178.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 37.6 ptt-85 . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.675 -179.793 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.0 ptt-85 -63.26 -36.15 82.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -65.14 -44.71 87.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.556 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -60.54 -42.98 97.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.288 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.49 ' NE1' ' CE ' ' A' ' 124' ' ' MET . 1.5 m95 -62.27 -50.32 72.16 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.194 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -65.95 -35.02 79.45 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.058 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.0 t -61.23 -44.56 97.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.046 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.427 ' OG ' ' SD ' ' A' ' 109' ' ' MET . 61.7 m -59.26 -45.2 91.85 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.306 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -68.4 -42.74 84.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -61.08 -42.03 97.74 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.666 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.66 -42.09 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.192 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 34' ' ' ALA . 55.5 t -58.52 -42.55 84.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.787 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.491 ' NZ ' ' CD ' ' A' ' 84' ' ' GLU . 23.8 mttp -60.12 -45.59 92.48 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.158 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -70.01 -32.84 71.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.131 0.491 . . . . 0.0 110.063 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.557 HH12 ' CG ' ' A' ' 11' ' ' ASP . 34.7 ttm-85 -101.8 16.12 26.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.564 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 30' ' ' VAL . . . -36.38 91.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.999 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' B' ' 33' ' ' ARG . 58.4 ttp180 -74.09 -16.12 61.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.167 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.484 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 53.7 ttm-85 -94.49 -4.31 48.37 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.062 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.484 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.2 OUTLIER 61.28 67.73 0.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.291 0.567 . . . . 0.0 110.23 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 21.9 mtp-105 -52.94 -42.31 65.3 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.534 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.0 tpt -64.63 -62.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.424 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 97.4 mt -62.92 -43.89 99.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.697 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 93.2 p -57.13 -46.07 82.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.111 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.45 ' ND2' ' OE2' ' A' ' 83' ' ' GLU . 99.1 m-20 -65.56 -41.15 93.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 110.656 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.424 ' OXT' ' O ' ' B' ' 40' ' ' ILE . 1.8 tt . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.388 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.4 t0 46.36 82.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.659 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.8 mm -50.19 155.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.5 mt -143.31 45.97 1.52 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.829 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.53 ' C ' ' H ' ' A' ' 7' ' ' GLU . 34.1 t -73.24 139.75 46.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.613 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.507 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 49.0 mp0 -50.42 -9.78 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.704 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.53 ' H ' ' C ' ' A' ' 5' ' ' SER . 73.2 mm-40 -69.72 -49.85 49.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.706 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.513 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 1.7 pt20 -49.86 -45.92 50.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.015 0.436 . . . . 0.0 110.028 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.513 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 36.6 mm -65.32 -43.15 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.274 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.3 t -57.87 -47.01 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -57.25 -53.84 53.54 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.159 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.495 ' CZ ' ' ND2' ' B' ' 32' ' ' ASN . 26.9 m-85 -59.5 -43.49 93.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.905 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.74 -39.93 93.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.457 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -58.19 -51.54 69.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.317 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.43 82.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.386 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.79 -49.54 77.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.407 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.71 -34.52 70.73 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.95 -52.21 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.221 0.534 . . . . 0.0 110.713 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.464 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 6.9 m-85 -55.14 -32.82 62.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.46 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -102.98 81.95 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -62.44 -17.06 58.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.274 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 24' ' ' ASP . 45.3 p-10 -114.02 33.05 5.46 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.639 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.78 53.54 0.01 OUTLIER Glycine 0 N--CA 1.475 1.296 0 O-C-N 124.278 0.986 . . . . 0.0 111.582 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 52.3 p-10 -76.5 -28.06 56.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.391 . . . . 0.0 110.471 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 110.53 8.19 25.1 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.1 p -162.91 166.31 24.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.822 0.344 . . . . 0.0 110.382 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 mt -112.48 114.36 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.961 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.1 m -91.87 151.95 20.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.89 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 t -50.64 -44.88 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.737 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.82 -51.89 65.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.52 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -55.45 -43.36 75.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.178 0.513 . . . . 0.0 109.86 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.61 -35.54 80.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.275 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.53 87.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.0 m -59.24 -46.11 89.37 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.233 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.456 ' O ' ' OG ' ' A' ' 38' ' ' SER . 96.4 t -60.15 -46.01 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 40' ' ' ASP . 82.8 mt -60.45 -41.7 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.82 0.343 . . . . 0.0 110.218 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.529 ' O ' ' O ' ' A' ' 40' ' ' ASP . 71.9 ttp85 -57.94 -35.97 71.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.232 0.539 . . . . 0.0 109.808 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 35' ' ' VAL . 50.1 p -66.44 -38.51 87.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.28 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.427 ' N ' ' HG ' ' A' ' 38' ' ' SER . 1.4 pp -103.9 6.75 36.62 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.06 0.457 . . . . 0.0 111.106 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ILE . 14.9 t70 -163.56 174.56 11.64 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 121.18 0.514 . . . . 0.0 110.732 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.92 -94.35 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.602 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.449 ' ND2' ' N ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -178.43 83.4 0.22 Allowed Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 42' ' ' ASN . 53.2 Cg_exo -54.41 -153.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.741 2.294 . . . . 0.0 111.802 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 t -107.98 145.02 34.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.291 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -58.38 -19.08 32.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.726 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -65.39 -47.34 76.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.01 -28.5 68.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.047 0.451 . . . . 0.0 110.624 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.3 mt -78.76 -53.62 6.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -66.19 -28.83 69.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.228 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -68.29 -53.58 23.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.5 mtp -57.25 -46.49 82.98 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.779 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -69.01 -30.64 47.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 t -72.11 -44.08 63.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 123.426 0.454 . . . . 0.0 110.996 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -58.56 -38.33 77.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 t -112.51 50.96 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -105.64 108.34 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.29 -16.92 31.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.242 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' OD2' ' OE2' ' A' ' 67' ' ' GLU . 4.2 m-20 -120.61 16.4 11.99 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.628 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.74 34.95 0.05 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.467 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 42.7 p-10 -101.77 11.06 39.37 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-O 120.53 0.205 . . . . 0.0 110.706 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.98 20.01 47.26 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.467 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 66.1 p -137.17 158.11 45.17 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.548 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.4 mt -105.8 129.73 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.216 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' GLU . 42.8 tt0 -95.5 156.09 16.47 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.182 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -42.49 -49.89 5.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 110.685 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -62.02 -36.2 80.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.852 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.449 ' OE2' ' OD2' ' A' ' 58' ' ' ASP . 95.4 mt-10 -72.54 -44.77 61.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.398 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.27 -42.7 99.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.797 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -58.49 8.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.545 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 36.3 t -63.35 -39.98 96.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.15 0.5 . . . . 0.0 110.47 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tt -56.46 -43.62 79.74 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.747 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -61.32 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.303 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.541 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -51.55 -47.89 63.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.181 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 70' ' ' SER . 51.2 tttm -65.55 9.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.725 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.541 ' H ' ' C ' ' A' ' 73' ' ' ALA . 52.4 mtmt -147.84 52.66 1.04 Allowed 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.992 -0.443 . . . . 0.0 110.718 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 78' ' ' ASP . 39.1 t -138.58 -70.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.482 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 76' ' ' VAL . 16.2 pttt 31.0 -90.93 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 O-C-N 124.002 0.814 . . . . 0.0 110.418 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -127.84 -50.02 1.35 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.881 179.656 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.7 m 68.93 -62.17 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.37 0.419 . . . . 0.0 110.548 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -173.03 141.78 1.0 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.53 -54.29 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.775 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -56.94 -20.61 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.11 0.481 . . . . 0.0 110.485 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -81.51 -53.44 6.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.148 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -71.43 -36.19 71.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.109 0.481 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.88 -37.29 78.94 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.128 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -82.85 -40.73 19.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.087 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -62.3 -40.81 97.52 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.216 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.16 -58.09 6.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.03 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -54.3 -41.49 69.0 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.253 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -58.46 -35.71 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.491 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 64.4 t -74.88 -51.66 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.937 0.399 . . . . 0.0 111.011 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -59.21 -46.92 87.17 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.214 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 96' ' ' GLN . 35.7 t0 -84.83 63.22 7.91 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.172 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -42.38 -58.56 2.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.843 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -66.83 -2.57 5.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.968 0.413 . . . . 0.0 110.937 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 93' ' ' ASP . 88.7 mt-30 42.17 42.24 2.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.65 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 41.0 p-10 -80.1 -2.24 43.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.736 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.5 -3.36 65.8 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.414 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 2.8 m-85 -139.74 146.22 39.27 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.5 mt -95.29 116.86 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.407 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 5.8 p -87.11 153.34 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.248 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -56.58 -44.99 81.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 68.7 m -59.47 -42.72 92.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.715 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' H ' ' HG ' ' A' ' 101' ' ' SER . 93.5 mt-10 -65.19 -50.85 64.34 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.095 0.474 . . . . 0.0 110.35 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.6 tp -67.78 -25.89 65.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.351 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 102' ' ' ALA . 43.5 ttm180 -78.41 -45.39 22.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.248 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 103' ' ' SER . 42.3 m-70 -55.33 -49.25 72.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.811 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.571 ' O ' ' N ' ' A' ' 112' ' ' LEU . 48.7 t -61.76 -63.9 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.968 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -33.34 -75.39 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.56 0.538 . . . . 0.0 111.105 -179.482 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 19.8 tt -49.79 -47.74 22.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.521 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.476 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 58.2 t30 -65.75 -13.69 59.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.248 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' A' ' 108' ' ' VAL . 14.1 tp -84.08 -123.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.336 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -129.27 40.25 1.72 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -161.3 122.2 2.79 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -96.28 102.62 14.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.454 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.6 mt -106.51 129.3 54.49 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.178 0.513 . . . . 0.0 110.441 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.0 p -66.03 174.13 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.347 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.54 -33.25 75.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.48 -46.93 68.39 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.657 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.8 -43.88 97.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.103 0.478 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.29 -45.4 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.159 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 126' ' ' LYS . 37.3 tp10 -62.83 -23.11 67.12 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.203 0.525 . . . . 0.0 110.086 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -74.45 -57.21 4.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.457 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 19.9 ttp -55.92 -48.81 75.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.297 -178.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 126' ' ' LYS . 9.7 tp -60.23 -41.54 87.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.117 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' A' ' 122' ' ' GLU . 24.1 mmtp -65.32 -40.28 93.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -72.0 -47.48 51.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.404 ' HB1' ' HE1' ' B' ' 23' ' ' TRP . . . -62.39 -36.08 81.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.468 ' OD2' ' OD1' ' A' ' 133' ' ' ASP . 52.8 t0 -75.9 104.3 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.507 ' CD1' ' HZ2' ' A' ' 143' ' ' LYS . 95.4 mt -72.79 -32.37 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.011 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 5.5 p30 -97.26 -0.86 45.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.691 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 50.8 32.79 26.48 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.468 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 36.6 p-10 -70.84 -13.44 62.04 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.526 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.74 -1.26 52.38 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -152.72 132.73 13.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.2 t -79.92 126.69 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.158 0.504 . . . . 0.0 110.413 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.59 HD21 ' N ' ' A' ' 137' ' ' ASN . 0.8 OUTLIER -88.82 155.09 19.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.387 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -50.96 -41.5 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.231 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.04 -48.61 79.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.929 0.395 . . . . 0.0 110.328 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.78 -37.45 87.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.063 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.87 -48.14 82.91 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.103 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.35 -47.19 88.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.004 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.507 ' HZ2' ' CD1' ' A' ' 130' ' ' LEU . 7.8 mtpm? -64.42 -30.68 71.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.273 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 144' ' ' MET . 1.4 tmt? -71.9 -26.81 62.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.483 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 146' ' ' MET . 0.7 OUTLIER -87.37 -19.67 27.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.641 -179.459 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 145' ' ' MET . 14.4 mtt -50.54 -153.64 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.402 0.62 . . . . 0.0 110.883 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.433 ' O ' ' O ' ' A' ' 148' ' ' VAL . 15.4 t -71.19 -42.21 69.3 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.89 -0.506 . . . . 0.0 111.217 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 147' ' ' THR . 53.2 t 49.15 100.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.279 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.488 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -61.3 -42.53 98.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.468 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -63.59 -38.88 92.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.542 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -61.87 -46.02 91.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.457 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 5.0 m95 -64.47 -47.31 79.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.977 0.418 . . . . 0.0 109.92 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -64.31 -38.39 90.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.785 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.9 t -61.07 -44.8 96.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.134 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -59.34 -44.19 92.67 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.436 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.97 -44.33 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.726 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.3 m -66.16 -40.51 90.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.348 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.43 -41.95 93.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.05 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 42.4 t -60.06 -46.62 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.713 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.71 -27.18 63.78 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.818 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . 0.495 ' ND2' ' CZ ' ' A' ' 12' ' ' PHE . 1.8 t-20 -80.34 -33.03 37.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.392 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.469 ' NH1' ' C ' ' A' ' 112' ' ' LEU . 76.9 mtp180 -85.13 -49.63 8.09 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.23 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.446 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 36.2 56.46 1.04 Allowed 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 120.81 0.338 . . . . 0.0 110.8 -179.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -53.09 -12.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.25 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.446 ' H ' ' C ' ' B' ' 34' ' ' ALA . 90.4 mtm-85 -108.9 -7.79 15.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.72 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.464 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 64.35 51.23 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.259 179.567 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -39.06 -33.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' MET . . . . . 0.478 ' O ' ' N ' ' B' ' 43' ' ' LEU . 5.1 ttp -72.36 -64.68 0.9 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.46 -42.72 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.372 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -56.99 -43.21 81.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.235 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.481 ' O ' ' C ' ' B' ' 43' ' ' LEU . 29.5 m120 -93.77 -4.12 50.87 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.752 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.594 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -112.25 46.8 1.13 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.0 mt -78.03 -50.33 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.9 mt -81.89 -107.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.316 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 7' ' ' GLU . 2.6 m -143.69 140.63 30.13 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -41.3 -25.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.788 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 8' ' ' GLN . 11.6 pt-20 -62.2 -49.84 74.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.407 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.531 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 15.4 mm100 -51.12 -52.83 39.98 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -59.36 -42.62 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.448 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.2 t -59.33 -50.65 79.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.098 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -53.89 -48.31 70.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -65.95 -43.32 88.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -56.71 -43.07 80.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.652 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.89 -50.45 68.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.683 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.38 -42.57 67.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.14 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -59.15 -47.09 86.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.216 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.98 -39.39 56.89 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.74 -43.03 94.69 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -68.79 -43.07 76.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.373 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 40.2 t0 -88.08 75.92 8.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.751 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.51 -42.27 82.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.917 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' GLY . 48.2 p-10 -90.59 36.73 0.9 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.783 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.26 65.49 0.01 OUTLIER Glycine 0 C--N 1.345 1.034 0 O-C-N 124.277 0.985 . . . . 0.0 112.174 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 52.6 p-10 -93.99 -21.8 18.95 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 114.64 -27.47 8.78 Favored Glycine 0 N--CA 1.467 0.718 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.6 m -136.92 131.57 33.25 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.3 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.1 mt -75.45 133.44 31.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -99.59 152.99 19.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.7 t -49.86 -44.68 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.971 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -60.12 -55.19 36.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.283 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -51.87 -40.87 61.32 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -41.4 98.86 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.497 0.665 . . . . 0.0 110.169 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.0 96.28 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.079 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.2 m -57.61 -44.47 85.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.013 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.55 -47.02 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.513 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.405 HD11 HG23 ' A' ' 36' ' ' ILE . 72.6 mt -64.65 -44.4 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -62.14 -39.27 92.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.659 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.575 ' C ' ' H ' ' A' ' 40' ' ' ASP . 53.0 p -69.17 -29.43 67.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.427 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.62 18.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.77 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.575 ' H ' ' C ' ' A' ' 38' ' ' SER . 3.9 m-20 70.11 62.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.988 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -165.86 162.12 18.16 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.746 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -144.71 62.97 10.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.826 0.346 . . . . 0.0 110.397 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -75.54 157.46 40.52 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 123.065 2.51 . . . . 0.0 111.934 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 47' ' ' GLU . 15.0 t -69.63 138.89 53.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.744 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' A' ' 48' ' ' LEU . 72.1 tt0 -56.39 -44.06 79.86 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.429 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -39.75 -45.22 1.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.799 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' H ' HG22 ' A' ' 44' ' ' THR . 96.1 mt-10 -68.42 -31.41 70.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.739 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 45' ' ' GLU . 48.6 mt -76.32 -46.13 29.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -64.68 -37.27 87.0 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.787 0.327 . . . . 0.0 110.72 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 54' ' ' GLU . 30.3 t70 -70.33 -52.24 24.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.2 ttp -57.56 -41.45 81.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.868 0.366 . . . . 0.0 110.695 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.0 mm -64.0 -41.89 93.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.3 m -87.38 -13.07 44.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.402 0.439 . . . . 0.0 110.764 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' ASP . 84.5 tt0 -57.91 -43.35 86.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.693 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.1 t -95.23 -38.39 8.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 20.6 t70 -39.58 106.34 0.05 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.207 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.17 6.31 33.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.726 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.9 p30 -129.14 14.22 6.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.181 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.489 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 32.74 40.38 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.519 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 12.1 m120 -78.99 -33.63 44.86 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.83 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.03 -5.91 58.07 Favored Glycine 0 N--CA 1.468 0.813 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.6 p -137.22 138.26 39.96 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.655 0.264 . . . . 0.0 110.357 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.2 mt -87.3 124.28 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.748 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -85.62 162.27 18.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.096 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -49.74 -48.06 50.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.434 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.36 -38.34 83.54 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.895 0.378 . . . . 0.0 110.212 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' OE2' ' OD2' ' A' ' 58' ' ' ASP . 96.8 mt-10 -72.46 -46.59 54.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -57.87 -44.74 86.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.933 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 tt -58.21 -54.65 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.173 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -59.0 -41.64 88.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.186 0.517 . . . . 0.0 110.318 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.24 -58.34 6.43 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.318 -178.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -41.52 70.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.728 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.41 78.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.867 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -70.8 -60.07 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.305 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -76.4 111.02 11.41 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 78' ' ' ASP . 23.8 t -155.91 -67.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.846 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' VAL . 65.1 tttm 33.45 -90.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.735 0.647 . . . . 0.0 110.99 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 80' ' ' ASP . 20.0 t0 -163.58 -19.13 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.523 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.517 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 4.7 p 63.12 -66.48 0.09 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.266 0.354 . . . . 0.0 110.595 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 78' ' ' ASP . 51.3 m-20 -162.17 142.37 10.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.669 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.66 -57.55 9.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -51.85 -20.91 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.05 0.452 . . . . 0.0 111.035 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.44 ' OE1' ' OG1' ' A' ' 79' ' ' THR . 84.3 tt0 -81.97 -54.2 5.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.39 -38.28 81.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.021 0.439 . . . . 0.0 110.646 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.82 -36.69 80.82 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.181 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -83.06 -45.21 14.29 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.302 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -59.79 -39.83 86.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.204 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -58.85 4.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 33.2 t80 -54.97 -38.88 68.36 Favored 'General case' 0 CA--C 1.527 0.096 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.57 ' HZ3' HE22 ' A' ' 96' ' ' GLN . 28.9 tptt -60.88 -39.05 87.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.255 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.2 t -74.01 -53.52 17.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.522 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -60.19 -48.5 81.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.927 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 96' ' ' GLN . 7.7 t0 -79.34 56.11 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -39.97 -60.65 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.613 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 6.3 p-10 -66.47 -6.59 15.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.091 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.57 HE22 ' HZ3' ' A' ' 90' ' ' LYS . 38.1 mt-30 46.12 57.96 4.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.475 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -96.64 -1.75 46.11 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.412 ' O ' ' OD1' ' A' ' 137' ' ' ASN . . . 91.63 3.23 69.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -144.06 148.63 35.43 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 122.681 -0.305 . . . . 0.0 110.392 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.3 mt -97.81 116.75 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 m -88.56 147.56 24.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.327 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.01 -45.42 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.9 t -59.9 -41.71 92.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.993 0.425 . . . . 0.0 110.547 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -63.72 -53.94 43.21 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.105 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.1 tp -67.6 -22.83 65.34 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.764 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.9 ttp180 -83.38 -39.98 19.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.63 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.689 ' CE1' HD22 ' A' ' 111' ' ' ASN . 84.4 t60 -59.01 -47.07 86.54 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 109' ' ' MET . 61.7 t -63.43 -61.91 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.13 0 N-CA-C 109.128 -0.694 . . . . 0.0 109.128 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.9 OUTLIER -32.17 -74.92 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.388 0.43 . . . . 0.0 110.746 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 15.1 tt -47.23 -49.35 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.713 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.689 HD22 ' CE1' ' A' ' 107' ' ' HIS . 93.9 m-20 -57.88 -10.39 1.72 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.323 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 109' ' ' MET . 5.6 mp -110.37 6.99 22.73 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.733 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.63 68.33 1.34 Allowed Glycine 0 CA--C 1.52 0.357 0 N-CA-C 111.324 -0.711 . . . . 0.0 111.324 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.447 ' CD ' ' SD ' ' A' ' 109' ' ' MET . 1.7 mt-10 -167.81 107.85 0.56 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.768 0.318 . . . . 0.0 110.398 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -101.58 100.55 10.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.971 0.415 . . . . 0.0 110.634 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 116' ' ' LEU . 10.4 mp -94.37 135.56 35.65 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.8 p -76.38 165.29 25.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.463 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -46.8 -53.51 11.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.637 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -58.81 -41.42 86.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.836 0.351 . . . . 0.0 110.443 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -65.46 -40.05 92.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.708 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.07 -42.46 93.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.07 0.462 . . . . 0.0 110.087 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 82.3 tt0 -61.94 -60.7 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.423 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.67 -28.02 68.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.402 0.62 . . . . 0.0 110.528 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.4 tpt -60.73 -52.51 64.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.995 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.5 tt -91.27 -34.22 6.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.177 0.513 . . . . 0.0 111.274 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 87.6 tttt -63.1 -22.9 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.029 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -72.3 -52.73 14.95 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.308 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.05 -37.26 74.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.179 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.452 ' OD1' ' OE1' ' A' ' 140' ' ' GLU . 11.5 m-20 -81.83 104.24 12.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 10.3 mp -64.62 -41.72 96.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.153 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -89.54 -3.64 58.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.366 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . 78.43 -144.31 28.0 Favored Glycine 0 CA--C 1.495 -1.206 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 132' ' ' GLY . 13.0 m-20 94.8 1.88 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 O-C-N 125.013 1.067 . . . . 0.0 111.045 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.57 16.49 29.71 Favored Glycine 0 C--N 1.331 0.283 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.41 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 23.4 mt-30 -143.59 137.53 28.43 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.094 0.473 . . . . 0.0 110.511 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.6 t -109.64 122.04 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.643 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 98' ' ' GLY . 58.9 t30 -84.57 157.54 21.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.533 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -48.49 -45.41 36.86 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.322 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.98 -45.63 94.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.139 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.452 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 96.1 mt-10 -64.18 -38.2 90.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.164 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -62.43 -48.05 81.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 146' ' ' MET . 53.8 t -58.41 -46.05 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.362 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.26 -36.47 82.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.815 0.341 . . . . 0.0 111.026 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.48 ' SD ' ' O ' ' A' ' 144' ' ' MET . 6.5 tpt -68.91 -38.12 79.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.239 0.542 . . . . 0.0 111.266 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.621 ' O ' ' N ' ' A' ' 147' ' ' THR . 94.2 mmm -88.1 -27.11 22.14 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.096 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 142' ' ' VAL . 0.7 OUTLIER -31.13 83.54 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 O-C-N 124.171 0.919 . . . . 0.0 111.259 -179.463 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.621 ' N ' ' O ' ' A' ' 145' ' ' MET . 10.8 m 40.09 71.78 0.17 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.584 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 147' ' ' THR . 19.2 t -36.11 89.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 O-C-N 123.45 0.469 . . . . 0.0 110.793 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 147' ' ' THR . 7.3 ptm180 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.21 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -63.7 -40.6 97.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -68.59 -38.63 80.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.474 -179.787 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.52 ' N ' ' OE1' ' B' ' 21' ' ' GLN . 15.7 tpp180 -61.06 -44.24 97.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.383 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -49.02 76.85 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.139 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -65.94 -38.25 88.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.778 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 68.6 m -59.46 -43.05 93.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.822 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.1 p -61.19 -48.16 82.82 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.465 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.8 -37.28 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.042 0.449 . . . . 0.0 110.244 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 39.5 t -63.56 -42.78 98.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.153 0.501 . . . . 0.0 110.345 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.69 -27.39 35.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.487 -0.485 . . . . 0.0 109.868 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.26 -44.3 80.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.513 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' B' ' 28' ' ' SER . 27.0 pttt -63.22 -36.93 85.28 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.1 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -77.67 -33.68 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.846 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' B' ' 34' ' ' ALA . 72.7 ttt-85 -72.19 -46.66 55.38 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.846 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 23.81 79.81 0.02 OUTLIER 'General case' 0 C--N 1.347 0.476 0 O-C-N 123.996 0.81 . . . . 0.0 111.291 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -77.45 -10.94 59.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.052 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.487 ' O ' ' OG ' ' B' ' 41' ' ' SER . 22.5 mtp180 -107.53 -1.36 21.4 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.454 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.2 OUTLIER 59.96 67.35 0.87 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.226 0.536 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -55.93 -36.14 67.41 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.434 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 63.1 mmm -66.45 -62.28 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.406 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 81.3 mt -62.82 -43.63 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.785 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' B' ' 36' ' ' ARG . 69.9 m -55.18 -43.76 74.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.24 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -64.15 -40.31 95.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.351 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.406 ' OXT' ' O ' ' B' ' 40' ' ' ILE . 44.3 mt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.248 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' A' ' 3' ' ' ILE . 29.2 p-10 -79.38 -110.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.47 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.543 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 65.7 mt -126.88 35.24 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 110.655 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pp -168.28 43.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.435 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 p -70.79 165.74 22.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.46 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.31 -37.08 74.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.445 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -50.7 -60.5 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.441 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 83.2 mm-40 -46.07 -36.2 5.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.042 0.448 . . . . 0.0 110.559 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.9 mt -77.75 -33.27 18.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.537 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -65.08 -50.63 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.369 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -66.58 -42.0 87.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 110.05 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -63.03 -42.27 99.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.574 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -64.65 -33.8 76.78 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.259 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.24 -47.21 85.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.8 -36.79 84.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.142 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.51 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 35.9 t80 -59.87 -49.53 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.88 -33.12 82.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt -65.62 -49.19 69.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.941 0.4 . . . . 0.0 110.879 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -65.07 -32.82 74.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.42 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.51 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 58.6 m-20 -94.09 86.43 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.58 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -67.12 -37.16 83.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.785 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.2 OUTLIER -103.01 28.31 6.35 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.118 -178.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 25.95 51.88 0.06 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.619 ' C ' ' H ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -78.68 36.49 0.26 Allowed 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.401 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 23' ' ' GLY . . . 57.98 -6.28 0.04 OUTLIER Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.619 ' H ' ' C ' ' A' ' 24' ' ' ASP . 2.6 p -166.26 173.74 9.83 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.9 mt -103.86 116.2 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.896 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -89.22 154.75 19.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.674 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.8 t -45.69 -47.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.403 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.32 -53.82 53.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.757 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 95.0 mt-10 -50.6 -46.1 57.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.044 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.01 -42.47 99.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.55 -50.84 70.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.651 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -56.69 -47.37 80.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.442 ' O ' ' OG ' ' A' ' 38' ' ' SER . 71.8 t -61.33 -43.4 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.623 ' O ' ' N ' ' A' ' 40' ' ' ASP . 74.7 mt -60.88 -42.12 91.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.106 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.574 ' O ' ' O ' ' A' ' 40' ' ' ASP . 61.4 ttp180 -59.96 -34.53 73.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.146 0.498 . . . . 0.0 109.936 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 35' ' ' VAL . 75.1 p -72.93 -43.34 62.48 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.094 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tt -93.73 4.04 54.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.431 0.634 . . . . 0.0 110.686 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.623 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.9 t70 -159.17 170.31 22.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.216 0.531 . . . . 0.0 110.594 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.82 -90.23 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.101 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -174.55 100.13 0.28 Allowed Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.317 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -78.99 -155.43 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.771 2.314 . . . . 0.0 111.275 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.424 HG23 ' H ' ' A' ' 47' ' ' GLU . 1.8 m -108.31 149.48 28.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.64 -44.02 97.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.98 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.91 -31.83 73.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.83 0.348 . . . . 0.0 110.655 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' H ' HG23 ' A' ' 44' ' ' THR . 84.7 tt0 -62.42 -37.16 84.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.318 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.0 mt -74.45 -57.79 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.625 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -51.87 -26.72 10.69 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.06 0.457 . . . . 0.0 110.691 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -79.18 -46.89 17.02 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.11 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.478 ' SD ' ' OXT' ' B' ' 43' ' ' LEU . 9.3 ttt -66.02 -21.91 66.42 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.313 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.531 ' C ' ' H ' ' A' ' 54' ' ' GLU . 5.1 mm -76.77 -72.01 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.9 t -48.95 -10.05 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.83 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' A' ' 52' ' ' ILE . 42.9 tt0 -69.63 -38.78 77.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.006 0.431 . . . . 0.0 110.92 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.8 p -117.12 -11.22 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.059 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 67.0 t0 -93.72 101.03 13.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.358 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.525 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -43.8 -71.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.118 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.562 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.5 p30 -69.97 12.86 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.353 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 1.91 68.79 0.0 OUTLIER Glycine 0 N--CA 1.473 1.136 0 O-C-N 124.079 0.862 . . . . 0.0 111.929 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.531 HD22 ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -98.15 22.63 9.23 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.216 -0.492 . . . . 0.0 110.149 -179.38 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.68 13.36 58.77 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.467 ' OG1' ' OD1' ' A' ' 60' ' ' ASN . 15.2 p -138.61 155.26 48.47 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.563 -0.374 . . . . 0.0 110.469 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.3 mt -126.53 132.62 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.741 0.305 . . . . 0.0 110.218 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' A' ' 67' ' ' GLU . 12.3 pt-20 -108.88 169.69 8.52 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.366 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -53.57 -42.66 67.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.494 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.5 -38.23 86.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.056 0.455 . . . . 0.0 110.328 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 96.6 mt-10 -76.54 -40.21 50.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.702 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -61.57 -44.87 96.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.925 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.46 -46.43 88.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.927 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.7 m -61.39 -41.64 97.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.3 -50.66 73.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 75' ' ' LYS . 38.4 mmt -71.74 -38.51 70.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.75 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.89 -33.77 51.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.433 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -73.59 -45.47 52.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.741 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 72' ' ' MET . 62.0 mttp -79.64 141.99 35.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.177 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 77' ' ' LYS . 46.9 t 68.5 118.09 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 O-C-N 124.191 0.932 . . . . 0.0 110.139 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 32.2 ttpt 162.4 -75.77 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.009 0.818 . . . . 0.0 110.474 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 78' ' ' ASP . 66.7 t0 -116.0 42.19 2.41 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.108 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -62.27 -84.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.502 ' N ' ' OG1' ' A' ' 79' ' ' THR . 0.1 OUTLIER 179.8 153.09 0.47 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 121.018 0.437 . . . . 0.0 110.177 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.14 -54.64 16.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.844 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -58.23 -23.73 56.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.141 0.496 . . . . 0.0 110.894 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' OE1' ' OG1' ' A' ' 79' ' ' THR . 83.2 mt-10 -76.76 -54.63 6.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.13 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.453 ' CG ' ' HZ3' ' B' ' 31' ' ' LYS . 79.6 tt0 -71.86 -32.24 67.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.945 0.403 . . . . 0.0 110.59 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.7 mt -66.38 -38.07 86.69 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.11 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -85.37 -42.07 14.89 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.268 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -58.75 -39.16 80.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.819 0.342 . . . . 0.0 110.195 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -57.23 7.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 36.6 t80 -51.65 -29.25 17.13 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.408 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -71.13 -36.71 72.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.9 t -76.06 -51.85 19.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.836 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -63.88 -46.77 83.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.537 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.469 ' OD1' ' OD1' ' A' ' 97' ' ' ASN . 21.5 t0 -89.28 66.35 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -44.79 -55.58 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.305 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -75.27 0.91 15.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.942 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 42.49 27.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.469 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 27.6 p-10 -63.36 -10.35 16.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.658 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.18 -15.87 50.36 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -129.88 133.39 46.86 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.5 mt -84.37 115.62 26.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.8 p -83.07 150.59 26.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.533 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.96 -44.58 70.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.607 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.6 p -55.04 -41.02 70.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.614 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.71 -45.7 81.76 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.251 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.3 tp -68.37 -31.36 70.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.345 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -61.25 -44.75 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' C ' ' H ' ' A' ' 109' ' ' MET . 62.9 m170 -68.0 -55.2 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.268 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.5 t -49.49 -18.73 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.364 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.4 ' H ' ' C ' ' A' ' 107' ' ' HIS . 3.2 tpt -87.5 -76.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.692 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.3 tt -48.27 -34.96 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.461 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -51.03 -25.33 4.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.126 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 mt -89.6 1.19 56.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.14 -9.96 69.88 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 14.0 mp0 -82.39 106.53 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.813 0.339 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -89.43 104.25 16.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.82 0.343 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.82 128.55 53.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.351 0.596 . . . . 0.0 110.621 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 p -65.03 172.38 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.02 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.54 -31.29 72.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -67.43 -46.41 73.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -64.82 -40.6 95.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.678 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.19 -44.38 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.208 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.85 -31.33 72.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.041 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -68.28 -57.56 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.822 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.9 ttt -51.02 -57.94 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 111.065 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 129' ' ' ASP . 9.6 tp -53.17 -36.94 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.47 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.57 -38.28 83.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -79.24 -16.82 55.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.629 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -101.96 -28.28 12.48 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.358 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 66.5 t0 -82.61 105.83 13.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.111 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.98 -42.83 94.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.971 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.458 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 5.4 m-20 -83.17 0.95 42.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.395 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 48.57 32.57 10.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.544 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 20.0 p-10 -92.34 15.05 14.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.725 0.298 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 68.38 23.9 75.02 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -150.85 159.28 44.65 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.309 0.576 . . . . 0.0 110.392 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.7 t -129.27 126.93 64.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.279 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -92.32 162.0 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.439 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -52.17 -41.83 62.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.023 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.96 -49.53 77.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.35 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.458 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 94.4 mt-10 -62.05 -39.95 94.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.322 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.57 -46.68 88.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.297 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.59 -47.22 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.028 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 147' ' ' THR . 53.3 mtmt -61.36 -35.26 76.96 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.3 mmm -66.43 -23.88 66.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.609 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.3 tpt -90.54 -21.14 21.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.46 ' O ' ' OG1' ' A' ' 147' ' ' THR . 3.4 ptm -141.52 54.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 110.398 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' ' 143' ' ' LYS . 0.2 OUTLIER -172.03 -52.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.495 179.321 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 149' ' ' ARG . 21.5 t 68.0 -96.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 O-C-N 123.636 0.585 . . . . 0.0 110.636 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 148' ' ' VAL . 16.1 ptm180 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.114 -0.946 . . . . 0.0 111.298 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -57.99 -35.7 71.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.405 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -64.22 -43.7 94.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.303 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -60.49 -38.89 85.78 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.397 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.629 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.4 m95 -62.32 -49.95 73.56 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.646 -0.422 . . . . 0.0 109.958 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -68.49 -37.29 79.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.843 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 6.7 t -63.15 -43.17 99.06 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.037 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -60.1 -45.15 93.94 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.101 -0.639 . . . . 0.0 110.507 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.6 t -69.25 -44.51 80.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.782 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m -68.34 -42.84 78.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.398 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' B' ' 33' ' ' ARG . 71.9 mt -62.25 -42.12 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.78 -44.87 94.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.379 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.453 ' HZ3' ' CG ' ' A' ' 84' ' ' GLU . 55.7 mtpt -82.63 -17.11 45.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.925 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -99.66 -11.4 20.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.177 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' B' ' 35' ' ' ARG . 60.4 ttt85 -104.94 -44.86 4.7 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.479 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.588 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 54.1 -75.59 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.119 0 O-C-N 123.291 0.369 . . . . 0.0 110.721 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' B' ' 33' ' ' ARG . 67.3 ttt180 68.72 -37.54 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.391 0.432 . . . . 0.0 110.392 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.588 ' H ' ' C ' ' B' ' 34' ' ' ALA . 83.9 mtp180 -92.8 -7.81 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.481 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.6 m-85 68.44 54.69 0.53 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 110.533 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -50.6 -32.5 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.905 0.383 . . . . 0.0 110.01 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' MET . . . . . 0.444 ' N ' ' SD ' ' B' ' 39' ' ' MET . 2.4 mpt? -66.13 -67.92 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.852 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.14 -42.67 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.369 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.494 ' OG ' ' O ' ' B' ' 36' ' ' ARG . 49.3 m -53.61 -46.74 70.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -65.03 -40.85 95.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.575 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.478 ' OXT' ' SD ' ' A' ' 51' ' ' MET . 51.2 mt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.366 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.582 ' O ' ' N ' ' A' ' 4' ' ' LEU . 39.8 p-10 -83.26 11.3 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 88.3 mt 58.51 -70.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 O-C-N 123.548 0.53 . . . . 0.0 110.576 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 2' ' ' ASP . 63.5 mt -46.71 160.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.479 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 p -156.28 153.11 28.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -51.38 -41.5 60.72 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.952 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.7 mp0 -62.59 -52.25 64.14 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -49.63 -48.1 49.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mm -62.58 -43.31 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.16 -51.29 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.349 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -57.07 -51.98 67.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -60.69 -42.77 97.8 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.045 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -61.15 -36.28 79.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.257 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.531 ' OE2' ' NH2' ' B' ' 35' ' ' ARG . 72.6 tt0 -63.28 -50.63 69.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.016 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.19 -38.15 68.0 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.999 0.428 . . . . 0.0 109.998 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 38.1 t80 -61.29 -46.58 89.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.034 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.62 -37.86 78.49 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.12 -51.99 65.68 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.776 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.438 ' CZ ' ' CD1' ' B' ' 37' ' ' PHE . 25.1 m-85 -53.15 -33.1 51.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.577 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 81.7 m-20 -99.59 76.51 2.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.595 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -51.69 -26.19 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.131 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 23' ' ' GLY . 45.3 p30 -107.99 36.74 2.67 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.679 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.87 63.5 0.01 OUTLIER Glycine 0 N--CA 1.471 0.97 0 O-C-N 123.832 0.708 . . . . 0.0 112.166 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 47.3 p-10 -86.44 -26.73 24.55 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 111.79 9.7 20.33 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.466 ' SG ' ' OD2' ' A' ' 24' ' ' ASP . 30.1 p -160.57 163.93 32.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.824 0.345 . . . . 0.0 110.361 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.1 mt -117.06 123.15 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.014 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 m -106.25 152.47 23.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.826 0.346 . . . . 0.0 110.802 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.1 t -48.91 -40.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.373 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.77 -54.59 40.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.336 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -60.54 -45.11 95.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.055 0.455 . . . . 0.0 110.25 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 tp -65.07 -38.53 91.06 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.407 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.39 92.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.928 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -58.01 -43.52 86.74 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.01 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -64.74 -45.44 95.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.333 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.73 -44.56 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.642 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -62.86 -36.48 83.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.472 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.3 m -84.77 18.65 2.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.179 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -114.62 17.65 17.12 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.333 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 12.0 t0 87.8 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.215 0.947 . . . . 0.0 110.496 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -86.9 146.14 26.29 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.953 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.441 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.1 OUTLIER -141.22 67.63 26.33 Favored Pre-proline 0 N--CA 1.466 0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.188 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.03 154.16 42.15 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.679 2.252 . . . . 0.0 112.166 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 t -58.79 149.35 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.682 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -67.03 -30.21 70.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.545 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -55.62 -46.0 77.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.356 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -58.96 -59.16 5.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.312 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.9 mt -48.81 -43.47 38.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.04 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -60.41 -46.61 89.4 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.768 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.65 -48.69 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 29.7 ttp -63.21 -45.32 92.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.1 mm -65.95 -41.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.273 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.7 p -71.64 -35.57 70.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.48 -38.16 68.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.4 t -87.35 -51.13 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -57.29 94.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.733 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.633 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.99 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.528 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 59' ' ' GLY . 33.6 p-10 -62.35 11.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.667 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.633 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 32.0 64.16 0.24 Allowed Glycine 0 C--N 1.338 0.657 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 62' ' ' THR . 33.6 p30 -101.39 29.19 4.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.762 0.315 . . . . 0.0 110.158 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 44.09 17.07 0.06 OUTLIER Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.716 -0.953 . . . . 0.0 110.716 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 60' ' ' ASN . 17.7 p -139.5 140.98 37.36 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.1 0.476 . . . . 0.0 110.573 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.56 128.26 62.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -90.32 161.65 15.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.314 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -48.47 -48.3 37.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.342 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.54 -39.13 79.32 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -74.06 -39.96 63.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.1 -46.77 87.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.556 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.78 -48.69 79.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.217 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.0 p -64.1 -43.02 96.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.577 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.4 tp -58.2 -48.33 80.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.8 tpt -71.8 -37.63 70.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.49 69.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.867 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -60.55 -64.67 0.87 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.477 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.583 ' O ' ' C ' ' A' ' 76' ' ' VAL . 28.3 tptp -44.87 -84.54 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.583 ' C ' ' O ' ' A' ' 75' ' ' LYS . 61.1 t -11.21 117.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 123.917 0.761 . . . . 0.0 110.903 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -173.98 -106.7 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.211 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 78' ' ' ASP . 65.9 t0 -175.37 35.79 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.853 0.359 . . . . 0.0 110.199 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.0 p -63.43 -65.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.18 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.87 116.14 28.58 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.119 0.485 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.99 -52.99 9.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.428 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -55.1 -14.67 1.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -84.71 -58.61 2.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -66.03 -34.27 77.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.324 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tp -71.88 -35.95 69.92 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.05 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -83.71 -46.11 12.64 Favored 'General case' 0 C--N 1.338 0.068 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -58.67 -41.68 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.898 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.42 -57.77 9.21 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.875 0.369 . . . . 0.0 110.169 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.02 -38.49 73.21 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.243 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.94 -37.78 80.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.28 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.7 t -76.58 -48.82 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 110.693 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -58.88 -47.63 84.27 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.098 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 96' ' ' GLN . 38.9 t0 -88.74 61.37 5.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.274 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -38.52 -59.56 0.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.784 0.326 . . . . 0.0 111.407 -178.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 56.1 p30 -62.72 -10.72 13.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.571 ' N ' ' O ' ' A' ' 93' ' ' ASP . 52.1 mt-30 43.77 67.03 0.71 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.424 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -108.23 0.67 21.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.465 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.83 -1.2 63.27 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -140.05 145.19 37.4 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.516 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.7 mt -96.43 116.09 37.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 120.883 0.373 . . . . 0.0 110.209 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 m -85.75 147.13 26.47 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.187 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -43.83 68.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.783 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -60.26 -43.85 95.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.717 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 92.6 mt-10 -65.24 -51.05 63.33 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.16 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.82 -22.91 65.99 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.79 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -82.53 -41.39 19.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -56.85 -50.72 71.57 Favored 'General case' 0 CA--C 1.52 -0.178 0 O-C-N 123.765 0.666 . . . . 0.0 109.559 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.507 ' O ' ' C ' ' A' ' 109' ' ' MET . 46.0 t -62.53 -64.24 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.828 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.507 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.1 tpt -30.41 -74.34 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.977 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.544 ' C ' ' H ' ' A' ' 112' ' ' LEU . 7.1 tp -47.18 -50.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.657 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.458 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 21.4 t-20 -51.25 -9.3 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.392 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.591 ' CD2' ' HE ' ' B' ' 33' ' ' ARG . 85.3 mt -110.27 81.98 1.52 Allowed 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.712 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 12.72 61.69 0.01 OUTLIER Glycine 0 N--CA 1.471 1.025 0 O-C-N 123.689 0.618 . . . . 0.0 112.084 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 112' ' ' LEU . 60.0 mt-10 -144.78 120.81 10.72 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.044 0.45 . . . . 0.0 110.22 -178.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -100.63 88.46 3.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.291 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 65.8 mt -118.61 128.41 54.51 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.058 0.456 . . . . 0.0 110.908 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.7 p -68.18 167.78 13.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.414 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 122' ' ' GLU . 42.1 t0 -62.42 -27.41 69.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.303 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -65.24 -51.59 59.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.653 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -59.27 -42.62 91.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.978 0.418 . . . . 0.0 110.539 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.01 -46.48 88.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.147 0.499 . . . . 0.0 110.771 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.419 ' OE2' ' OD2' ' A' ' 118' ' ' ASP . 90.7 mt-10 -60.76 -23.71 65.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.758 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -75.51 -59.23 2.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.615 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.412 ' SD ' ' CG ' ' B' ' 22' ' ' ARG . 12.4 ttp -46.7 -51.78 15.32 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.274 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 126' ' ' LYS . 19.8 tt -61.05 -45.35 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.436 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 38.2 ttpt -61.84 -38.39 88.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.392 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -68.02 -47.12 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.474 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.31 -35.49 79.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.132 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 41.8 t0 -69.22 99.82 1.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.938 0.399 . . . . 0.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.0 mt -72.95 -42.32 63.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.271 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.517 ' O ' ' O ' ' A' ' 132' ' ' GLY . 19.5 p-10 -85.42 1.37 48.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.766 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 50.72 112.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 3.6 p30 -160.95 -20.9 0.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.526 -0.397 . . . . 0.0 110.465 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.8 6.42 49.51 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.52 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 8.3 mt-30 -147.24 156.27 42.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.922 0.391 . . . . 0.0 110.481 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.2 t -115.71 124.19 71.88 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.202 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.72 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -84.73 151.3 24.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.614 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -51.57 -42.3 61.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.303 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -62.45 -49.19 76.42 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.944 0.402 . . . . 0.0 110.002 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.28 -37.97 85.08 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 55.1 t80 -64.28 -47.53 79.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.04 0.448 . . . . 0.0 110.418 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.8 -45.55 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -61.0 -36.0 78.32 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.335 0.397 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.6 ttt -72.52 -33.08 66.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.627 ' O ' ' N ' ' A' ' 147' ' ' THR . 6.2 mtp -75.48 -26.06 57.87 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.193 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.462 ' O ' ' HB ' ' A' ' 147' ' ' THR . 44.9 mmm -58.31 57.32 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.481 0 O-C-N 124.289 0.993 . . . . 0.0 111.202 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.627 ' N ' ' O ' ' A' ' 145' ' ' MET . 18.5 m 77.5 -96.28 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 123.621 0.575 . . . . 0.0 111.336 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 16.2 t 53.24 36.02 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.295 0.569 . . . . 0.0 110.67 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 117.856 -1.069 . . . . 0.0 110.364 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -63.99 -37.95 89.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.656 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.15 -43.57 91.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.454 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.412 ' CG ' ' SD ' ' A' ' 124' ' ' MET . 18.6 tpp85 -62.56 -43.18 99.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.079 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -58.34 -44.85 88.92 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.54 ' NH2' ' O ' ' A' ' 147' ' ' THR . 96.0 mtt180 -65.39 -37.23 86.35 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.903 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 40.6 m -58.9 -45.81 89.39 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.185 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.493 ' OG ' ' SD ' ' A' ' 109' ' ' MET . 14.8 m -61.74 -43.83 98.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.273 0.558 . . . . 0.0 110.354 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.64 -40.36 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.476 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 70.3 m -61.32 -42.63 98.99 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.72 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.401 ' CD1' ' OE2' ' A' ' 114' ' ' GLU . 96.4 mt -68.29 -28.74 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.437 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -67.92 -44.51 85.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.619 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -64.97 -36.54 84.73 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.831 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -71.5 -39.5 70.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.357 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.591 ' HE ' ' CD2' ' A' ' 112' ' ' LEU . 60.7 ttm-85 -64.16 -46.32 84.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.059 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.465 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 37.75 64.64 0.64 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.713 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.531 ' NH2' ' OE2' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -70.57 7.76 1.01 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.637 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.465 ' H ' ' C ' ' B' ' 34' ' ' ALA . 35.0 mmt180 -126.69 -1.06 6.74 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.489 0.493 . . . . 0.0 110.463 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.438 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 5.3 m-85 62.66 47.29 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.45 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.539 ' NH1' ' HZ1' ' A' ' 75' ' ' LYS . 9.5 ptm180 -41.16 -33.77 0.39 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.894 0.378 . . . . 0.0 110.701 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' MET . . . . . 0.511 ' SD ' ' N ' ' B' ' 40' ' ' ILE . 1.8 tmt? -66.99 -70.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.681 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.511 ' N ' ' SD ' ' B' ' 39' ' ' MET . 85.3 mt -62.06 -43.25 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.307 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.6 p -54.06 -45.41 71.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.168 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.19 -41.18 97.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.368 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.31 -179.483 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 54.75 171.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.49 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.572 ' CG2' ' H ' ' A' ' 4' ' ' LEU . 23.2 mm 62.27 178.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.706 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.572 ' H ' ' CG2' ' A' ' 3' ' ' ILE . 79.8 mt -97.47 -104.74 0.18 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.853 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -148.99 145.01 27.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.689 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.52 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 43.5 mp0 -53.83 -24.72 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -61.23 -54.62 41.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 2.4 mp0 -49.81 -43.04 48.4 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.06 -43.27 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.518 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.36 -48.75 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.133 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.85 -47.44 86.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.039 0.447 . . . . 0.0 109.879 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -61.64 -44.99 95.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.281 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -64.79 -37.74 88.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.951 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -58.42 -51.38 70.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.87 89.56 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.471 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -61.84 -50.08 73.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.682 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.28 -32.51 81.0 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.92 -53.57 51.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.57 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.25 -27.63 62.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.217 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 37.6 t0 -101.12 88.33 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -66.3 -35.91 81.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.092 0.473 . . . . 0.0 110.392 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.58 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.1 p30 -95.73 31.41 2.07 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.797 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.26 65.42 0.01 OUTLIER Glycine 0 N--CA 1.468 0.773 0 O-C-N 123.442 0.464 . . . . 0.0 112.077 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 58.1 m-20 -91.53 -26.31 18.83 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 111.05 3.39 28.01 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 5.6 m -163.18 127.54 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 110.648 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.5 mt -76.82 123.56 33.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.893 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.0 m -98.26 152.81 19.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.61 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 t -47.64 -43.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.154 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -58.59 -60.93 3.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 69.4 mt-10 -53.66 -44.1 69.35 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.237 0.541 . . . . 0.0 109.737 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.38 -38.8 88.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.22 -48.18 81.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.178 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.2 m -56.82 -51.01 70.67 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.301 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.8 t -59.33 -43.91 91.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.271 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.406 HD12 HG22 ' A' ' 36' ' ' ILE . 72.5 mt -62.9 -43.15 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.691 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -54.11 -46.65 72.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.316 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.7 p -70.05 -39.72 75.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.175 0.512 . . . . 0.0 109.796 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 36.9 tp -72.57 -3.83 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.868 0.842 . . . . 0.0 110.191 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -159.37 -134.49 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.48 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -151.96 66.35 0.85 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 48.94 82.94 0.23 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.562 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.34 -94.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.714 2.276 . . . . 0.0 112.081 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.402 HG21 ' H ' ' A' ' 47' ' ' GLU . 8.6 t -156.13 137.03 13.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.145 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -68.72 -19.62 64.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -67.16 -63.2 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' H ' HG21 ' A' ' 44' ' ' THR . 80.8 mm-40 -55.62 -21.93 20.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -73.68 -62.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.795 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 53' ' ' SER . 87.7 mt-30 -66.44 -23.61 66.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.147 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -68.67 -53.03 24.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.162 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.7 mtm -62.63 -42.72 99.76 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.937 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.442 ' O ' ' CB ' ' A' ' 56' ' ' ASP . 68.6 mt -73.2 -25.67 21.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.777 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 5.4 t -69.76 -47.76 61.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.034 0.445 . . . . 0.0 111.042 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -53.37 -32.77 50.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.459 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 57' ' ' ALA . 65.0 t -96.64 -55.5 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.985 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.47 ' OD2' ' OD1' ' A' ' 60' ' ' ASN . 60.0 t0 -42.73 92.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.991 0.424 . . . . 0.0 110.48 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.629 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -47.48 -72.52 0.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.89 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.54 ' O ' ' C ' ' A' ' 59' ' ' GLY . 45.9 p-10 -65.51 19.56 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.047 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.629 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 20.48 58.62 0.01 OUTLIER Glycine 0 C--N 1.341 0.832 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.472 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 51.1 p-10 -90.45 -25.35 20.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.88 0.371 . . . . 0.0 110.173 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 102.81 14.26 27.52 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.472 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 7.6 p -140.14 150.07 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.473 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.5 mt -102.76 125.2 57.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.939 0.4 . . . . 0.0 110.682 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' GLU . 83.6 tt0 -101.59 158.13 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.191 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' GLU . 80.7 t80 -37.83 -57.64 0.99 Allowed 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 66.0 t0 -54.38 -35.86 63.27 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 120.956 0.407 . . . . 0.0 110.667 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' GLU . 71.6 mt-10 -75.87 -32.12 59.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.829 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.04 -44.12 81.03 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.24 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' ALA . 9.9 mp -62.35 -42.87 99.74 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.157 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.3 m -58.98 -43.33 91.38 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 121.499 0.666 . . . . 0.0 110.76 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.57 -47.04 85.59 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.248 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 8.8 mmt -77.74 -32.25 52.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.403 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -50.09 -33.96 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.968 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -81.36 -18.14 46.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 76' ' ' VAL . 64.8 tttm -71.02 129.19 38.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.235 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 75' ' ' LYS . 39.4 t 55.65 121.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' HG2' ' H ' ' A' ' 78' ' ' ASP . 43.8 tttt -129.71 -146.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' H ' ' HG2' ' A' ' 77' ' ' LYS . 99.6 m-20 -89.59 28.24 1.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.766 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.402 ' CG2' ' H ' ' A' ' 80' ' ' ASP . 0.6 OUTLIER -147.72 -144.16 0.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.702 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.402 ' H ' ' CG2' ' A' ' 79' ' ' THR . 93.9 m-20 54.51 54.57 9.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.61 -57.28 4.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.75 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.51 -19.36 64.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.97 0.414 . . . . 0.0 110.71 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.454 ' OE1' ' OE2' ' A' ' 87' ' ' GLU . 1.9 tm-20 -76.31 -48.36 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -80.42 -37.05 32.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.105 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.53 -33.9 76.98 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.235 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -83.28 -40.9 18.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.342 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.547 ' OE1' ' NH2' ' B' ' 38' ' ' ARG . 95.2 mt-10 -66.41 -39.11 88.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.3 -56.07 17.02 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.187 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 62.6 t80 -55.19 -41.77 72.37 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.983 0.42 . . . . 0.0 109.982 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.525 ' NZ ' ' NE2' ' A' ' 96' ' ' GLN . 63.6 tttp -59.15 -33.79 71.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.157 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.5 t -74.72 -60.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -51.48 -44.42 62.47 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.252 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' CZ ' ' A' ' 89' ' ' PHE . 21.3 m-20 -84.45 64.12 8.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.907 0.384 . . . . 0.0 110.87 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -41.93 -55.81 2.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.131 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 10.6 p30 -70.84 -3.69 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.188 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.525 ' NE2' ' NZ ' ' A' ' 90' ' ' LYS . 86.3 mt-30 44.12 44.25 6.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.639 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 50.4 p30 -82.44 -2.3 52.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.402 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.76 -3.42 74.31 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -137.57 143.86 41.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 0.0 110.542 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.5 mt -92.14 112.46 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.453 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 61.4 m -88.21 148.12 24.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.432 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.19 -45.15 53.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.402 ' HG ' ' CE1' ' A' ' 107' ' ' HIS . 11.7 t -60.16 -44.45 94.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.9 0.381 . . . . 0.0 110.704 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 60.9 mt-10 -61.74 -54.5 41.66 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.176 0.513 . . . . 0.0 110.682 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.1 tp -65.86 -22.25 66.52 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.861 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -77.97 -49.19 14.57 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.109 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.402 ' CE1' ' HG ' ' A' ' 103' ' ' SER . 24.0 m80 -53.78 -49.71 67.66 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -178.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 112' ' ' LEU . 46.1 t -60.71 -66.57 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.041 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.473 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -32.2 -73.86 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.255 0.347 . . . . 0.0 111.18 -178.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.468 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 21.1 tt -51.22 -45.31 31.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.488 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.468 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 57.6 t30 -70.58 -8.46 51.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.236 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -86.12 18.3 3.16 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.973 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.04 -73.03 0.53 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -53.83 134.87 42.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.348 . . . . 0.0 110.188 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -93.76 108.24 20.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.798 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.6 mp -116.51 133.59 55.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.611 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.8 p -72.83 174.43 7.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.563 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 -69.37 -26.01 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.607 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -67.87 -50.44 56.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.46 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.547 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 23.6 tp10 -60.49 -44.76 95.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.25 0.548 . . . . 0.0 110.409 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.74 -41.14 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.08 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.1 -28.92 70.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.88 0.372 . . . . 0.0 110.508 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -69.13 -53.24 21.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.412 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 11.9 ptm -57.86 -38.56 75.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.303 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 124' ' ' MET . 4.3 mm -64.04 -43.2 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.272 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -69.44 -36.62 76.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.842 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -78.66 -57.06 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.285 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.414 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -49.69 -37.0 27.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.208 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 25.1 t0 -91.5 109.24 20.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.842 0.353 . . . . 0.0 110.114 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.3 -46.05 91.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.928 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 4.2 p30 -75.46 -4.93 42.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.706 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 46.51 42.07 13.31 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 57.4 m-20 -79.94 20.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 64.7 5.03 16.04 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -148.38 156.94 43.13 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.028 0.442 . . . . 0.0 110.489 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.4 t -122.25 125.69 73.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.773 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.586 HD21 ' N ' ' A' ' 137' ' ' ASN . 0.9 OUTLIER -90.46 155.12 19.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.724 179.445 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -46.93 -42.92 18.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.387 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -61.77 -51.92 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.359 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 98.9 mt-10 -58.11 -40.67 81.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.253 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -61.66 -46.52 89.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.5 -45.88 93.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.467 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -64.36 -32.95 74.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.87 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 144' ' ' MET . 2.2 tmm? -76.52 -30.43 57.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.221 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.417 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 4.4 tpp -88.86 -27.61 20.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.545 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 16.1 mmt -78.13 -41.12 36.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.463 ' O ' ' CG2' ' A' ' 147' ' ' THR . 51.9 m -68.95 1.17 3.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.649 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 145' ' ' MET . 46.8 t -50.04 124.92 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.923 0.392 . . . . 0.0 110.485 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.812 179.729 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -65.43 -35.46 81.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.484 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.434 ' O ' ' OG ' ' B' ' 25' ' ' SER . 6.9 tp-100 -63.69 -47.89 79.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.361 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.547 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 41.2 ttm105 -60.14 -44.66 94.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.076 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.414 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 8.6 m95 -61.09 -49.0 79.08 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.308 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -65.96 -34.22 77.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.042 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 66.7 m -59.28 -48.61 80.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.8 m -61.94 -42.15 98.78 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.299 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t -68.21 -43.83 84.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 91.2 p -65.56 -44.56 86.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.073 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 33' ' ' ARG . 75.1 mt -63.17 -41.99 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 27.1 t -58.49 -45.38 90.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.209 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -64.44 -44.13 92.12 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.646 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -74.92 -27.62 60.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.25 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' B' ' 29' ' ' ILE . 66.1 ttp85 -66.75 -58.43 5.09 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.797 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.544 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 24.81 44.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.797 0.686 . . . . 0.0 111.366 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' B' ' 33' ' ' ARG . 54.8 ttp180 -59.64 -2.71 0.38 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.74 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.544 ' H ' ' C ' ' B' ' 34' ' ' ALA . 31.5 ptt180 -111.06 -5.2 14.83 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.417 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 2.2 m-85 65.95 47.21 2.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.604 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.547 ' NH2' ' OE1' ' A' ' 87' ' ' GLU . 13.7 ptm180 -43.86 -26.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.561 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 26.9 ttt -70.11 -64.2 0.93 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.398 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.84 -42.92 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.293 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' B' ' 42' ' ' ASN . 6.0 p -54.06 -53.05 58.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.139 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' B' ' 38' ' ' ARG . 80.0 m-20 -69.96 -39.4 76.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.965 0.412 . . . . 0.0 110.662 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.543 -179.242 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.2 p-10 -91.96 156.86 17.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.2 tt -170.48 -17.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.619 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.29 126.06 40.35 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.47 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.476 ' OG ' ' OE1' ' A' ' 8' ' ' GLN . 72.8 p -109.55 161.07 15.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.515 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -50.26 -28.92 8.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.414 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -59.0 -28.44 66.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.013 0.435 . . . . 0.0 110.771 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.531 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 9.4 mp0 -78.99 -55.32 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.987 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.2 mm -61.62 -40.49 86.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.341 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.31 -50.7 79.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.227 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.479 ' O ' ' NH2' ' B' ' 33' ' ' ARG . 31.4 m-20 -54.34 -52.52 61.33 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.201 0.524 . . . . 0.0 110.523 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -63.49 -42.2 98.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.555 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -61.0 -42.48 98.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.203 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HB2' HH22 ' B' ' 33' ' ' ARG . 85.6 mt-10 -55.23 -52.35 63.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.129 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.39 -46.01 87.23 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.217 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.467 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 34.2 t80 -58.24 -48.77 79.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.128 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.05 -34.94 62.76 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.28 -52.47 63.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.009 0.433 . . . . 0.0 110.086 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.35 -32.86 51.17 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.16 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 98.4 m-20 -93.88 76.35 4.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.684 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -51.86 -32.98 34.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.365 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 23' ' ' GLY . 53.3 p30 -101.98 37.7 1.8 Allowed 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.964 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.97 66.73 0.01 OUTLIER Glycine 0 C--N 1.343 0.953 0 O-C-N 124.085 0.866 . . . . 0.0 111.581 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 42.4 p-10 -92.72 -26.12 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -178.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 108.67 14.26 16.25 Favored Glycine 0 N--CA 1.465 0.6 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 9.4 m -162.61 166.04 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.7 mt -114.7 118.9 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 m -101.44 150.63 22.84 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.974 0.416 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.9 t -48.71 -42.4 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.04 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -61.98 -53.19 59.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.488 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 68.8 mt-10 -58.39 -44.45 88.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.939 0.4 . . . . 0.0 110.028 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.9 -35.19 76.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.18 78.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 m -60.18 -48.74 80.45 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.719 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.1 t -60.48 -46.13 95.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.501 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' ASP . 76.6 mt -60.18 -43.14 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.485 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 40' ' ' ASP . 72.8 ttp85 -58.23 -33.17 69.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.068 0.461 . . . . 0.0 110.361 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -71.83 -41.25 68.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.872 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.05 4.06 51.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.312 0.577 . . . . 0.0 110.932 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 37' ' ' ARG . 32.8 t70 -170.31 176.99 4.29 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 77.5 mt-30 -65.62 -153.52 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.252 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -122.88 82.97 49.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.948 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -55.44 -169.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.826 2.351 . . . . 0.0 111.796 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.421 HG21 ' H ' ' A' ' 46' ' ' GLU . 54.8 m -92.37 136.52 33.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.069 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -53.03 -40.32 63.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' H ' HG21 ' A' ' 44' ' ' THR . 77.6 tt0 -49.14 -42.57 39.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.321 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.04 -34.0 77.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.959 0.409 . . . . 0.0 110.466 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.41 -45.47 46.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.024 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -69.48 -30.14 67.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.17 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' GLU . 28.5 t70 -70.02 -57.6 4.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.752 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -60.07 -40.86 90.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.46 . . . . 0.0 110.734 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.8 mm -65.43 -38.58 82.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.678 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.8 t -85.1 -19.98 31.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.724 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ASP . 42.4 tp10 -57.2 -44.9 84.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.594 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 57' ' ' ALA . 92.1 t -97.77 -52.05 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.727 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -47.84 89.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.575 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.635 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.19 -73.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.6 p30 -59.3 4.71 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.827 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.635 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 18.48 60.42 0.01 OUTLIER Glycine 0 C--N 1.346 1.136 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.3 p-10 -76.76 -13.96 59.98 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.541 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.99 -1.6 44.5 Favored Glycine 0 N--CA 1.463 0.454 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.4 p -141.5 149.2 40.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.659 0.266 . . . . 0.0 110.645 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.0 mt -100.24 123.68 53.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.015 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -87.45 160.48 18.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.161 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -45.27 -53.79 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -54.9 -38.97 68.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.934 0.397 . . . . 0.0 110.694 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.73 -38.32 67.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.942 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.11 -44.98 96.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.119 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 73' ' ' ALA . 3.8 mm? -62.13 -50.78 70.51 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.5 p -65.38 -43.99 88.99 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.957 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.11 -45.07 83.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.0 tpt -83.57 -51.59 7.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 69' ' ' LEU . . . -53.06 -33.89 54.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.872 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -72.18 -58.24 3.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.084 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -36.81 -68.4 0.14 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.474 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.5 t -83.83 75.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.028 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -94.24 -100.89 0.15 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.42 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 78' ' ' ASP . 59.5 t0 -111.33 21.58 16.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.891 0.377 . . . . 0.0 110.711 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.567 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 1.5 t -142.98 134.41 26.23 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-O 117.644 -1.17 . . . . 0.0 109.049 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.567 ' CG ' ' O ' ' A' ' 79' ' ' THR . 36.1 m-20 138.26 35.39 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 O-C-N 125.508 1.755 . . . . 0.0 110.665 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.61 -58.71 5.08 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.581 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.41 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 48.4 mp0 -61.23 -21.85 64.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.879 0.371 . . . . 0.0 110.461 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.25 -43.45 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 7.6 pt-20 -82.27 -35.56 27.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.258 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.98 -38.29 85.78 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.205 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -80.58 -43.73 20.13 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.231 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.547 ' OE1' ' NE ' ' B' ' 38' ' ' ARG . 58.8 mt-10 -66.81 -41.78 86.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.104 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -57.74 -51.76 68.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.667 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.3 -42.02 85.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.357 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -58.14 -37.34 74.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.6 t -77.21 -48.79 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.429 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.09 -49.97 75.55 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.068 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.614 ' O ' ' N ' ' A' ' 96' ' ' GLN . 55.9 t0 -89.56 57.23 3.86 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.342 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' ASP . 16.4 ttmm -37.23 -50.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.745 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.453 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.3 m-20 -63.8 -24.52 67.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.752 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 93' ' ' ASP . 76.7 mt-30 61.35 19.26 10.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -65.48 -0.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.604 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 91.51 4.93 67.51 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -141.16 146.35 36.89 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.75 0.31 . . . . 0.0 110.635 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.2 mt -98.3 111.29 27.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.3 p -81.57 151.84 27.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.592 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.84 74.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.62 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.0 p -60.5 -41.91 95.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 110.663 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 29.9 mt-10 -65.01 -49.91 68.35 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.122 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.7 tp -67.09 -23.14 65.82 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.115 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -83.75 -41.44 17.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.761 ' NE2' HD22 ' A' ' 111' ' ' ASN . 21.0 t-80 -57.82 -50.0 74.76 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.564 0.54 . . . . 0.0 109.711 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 109' ' ' MET . 46.0 t -61.9 -64.49 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.863 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' VAL . 5.8 tpt -32.85 -73.97 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.821 0.343 . . . . 0.0 111.262 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.472 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 17.4 tt -49.23 -48.07 18.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.132 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.761 HD22 ' NE2' ' A' ' 107' ' ' HIS . 89.8 m-20 -57.29 -14.44 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.274 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 114' ' ' GLU . 7.1 mp -107.83 82.76 1.69 Allowed 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.625 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 36.36 -83.71 0.0 OUTLIER Glycine 0 CA--C 1.521 0.456 0 O-C-N 123.747 0.654 . . . . 0.0 111.607 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 112' ' ' LEU . 52.4 tp10 -50.49 118.04 2.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.934 0.397 . . . . 0.0 110.453 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -112.03 136.7 51.05 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.549 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.5 mp -113.32 144.52 42.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.6 p -70.12 -178.52 1.66 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.36 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.18 -32.67 70.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -71.29 -42.33 68.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 0.0 110.732 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.88 -40.36 87.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.46 -60.35 2.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.762 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -56.09 -24.31 39.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.108 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -70.21 -65.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.932 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.624 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 6.3 ttp -47.16 -57.9 4.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.039 -178.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 16.3 tt -53.02 -39.43 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.85 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.54 -39.21 91.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.752 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -76.68 -58.4 3.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.23 -31.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.469 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 13.8 t0 -79.72 113.11 17.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.102 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.9 mt -74.45 -35.16 63.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.413 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.598 ' O ' ' O ' ' A' ' 132' ' ' GLY . 13.1 p-10 -94.97 0.57 54.78 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.785 -178.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.598 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 47.57 121.39 0.0 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.434 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 0.7 OUTLIER -168.46 -22.75 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 O-C-N 122.135 -0.626 . . . . 0.0 110.473 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.61 5.3 39.42 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.403 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 3.8 mt-30 -146.16 146.23 30.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.038 0.447 . . . . 0.0 110.221 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.3 t -112.89 128.22 69.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.927 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 49.9 t-20 -88.56 149.03 23.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.382 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 67.8 t80 -45.55 -40.89 9.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -59.57 -56.31 23.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.576 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -58.06 -40.57 81.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.041 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -58.92 -50.28 74.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.66 -46.81 90.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -58.4 -32.74 68.91 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.796 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.6 ttt -70.42 -40.31 73.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.902 0.382 . . . . 0.0 110.488 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.51 ' O ' ' O ' ' A' ' 146' ' ' MET . 10.2 mmt -62.35 -22.14 65.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.4 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.51 ' O ' ' O ' ' A' ' 145' ' ' MET . 91.8 mmm -55.85 -141.07 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.241 0.543 . . . . 0.0 111.067 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.3 m -78.25 -67.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.931 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.437 ' O ' ' NH2' ' B' ' 20' ' ' ARG . 11.0 t 64.11 104.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.537 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.552 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 148' ' ' VAL . 32.2 ttm180 -61.42 -45.71 93.15 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.419 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -61.05 -41.43 96.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.488 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -59.06 -40.99 86.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.169 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.624 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 2.2 m95 -59.07 -48.6 81.0 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.966 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -66.36 -33.87 76.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.787 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.0 m -59.61 -46.11 89.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 92.2 p -61.37 -44.07 97.79 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.292 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 99.8 t -67.77 -40.3 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 56.3 m -61.42 -41.99 98.03 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.749 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.09 -41.93 93.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -58.56 -42.55 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -58.4 -47.48 83.75 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.014 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' B' ' 32' ' ' ASN . 54.0 t-20 -71.96 -20.83 61.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.621 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.479 ' NH2' ' O ' ' A' ' 11' ' ' ASP . 3.2 tpm_? -78.88 -58.75 3.08 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.513 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 33.06 51.55 0.28 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.567 0.542 . . . . 0.0 111.0 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -55.03 -8.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.07 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.513 ' H ' ' C ' ' B' ' 34' ' ' ALA . 96.0 mtt180 -115.43 -6.73 12.3 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.635 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.46 ' O ' ' CB ' ' B' ' 41' ' ' SER . 1.1 m-85 63.86 73.81 0.43 Allowed 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 121.042 0.449 . . . . 0.0 110.171 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.547 ' NE ' ' OE1' ' A' ' 87' ' ' GLU . 44.1 mtp180 -54.91 -42.71 72.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.036 0.446 . . . . 0.0 110.696 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 35.0 mmt -64.36 -61.73 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.335 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.401 HD12 HG21 ' B' ' 40' ' ' ILE . 93.0 mt -62.57 -43.44 98.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.69 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' B' ' 42' ' ' ASN . 80.9 p -54.37 -43.58 71.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.466 ' N ' ' HG ' ' B' ' 41' ' ' SER . 97.1 m-20 -65.62 -41.46 92.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 62.6 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.392 -179.673 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -83.77 116.32 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' A' ' 4' ' ' LEU . 13.2 tt -40.08 -50.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.513 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 15.8 mt -99.91 107.11 19.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.529 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -78.49 151.34 32.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.634 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -44.26 -29.3 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.38 -44.2 88.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.09 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -54.29 -53.43 53.85 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 1.5 mp -58.31 -41.93 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.82 -50.4 80.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.09 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -50.62 -53.29 31.96 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -63.44 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.268 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -58.31 -46.49 86.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.077 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.45 -51.57 68.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.584 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.7 -45.73 74.03 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.933 0.397 . . . . 0.0 110.409 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 2.4 t80 -61.57 -44.61 96.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.818 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.42 -39.74 60.18 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.02 -43.4 98.83 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.735 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -64.39 -41.03 96.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' ' 24' ' ' ASP . 36.6 t0 -94.2 75.08 4.0 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.361 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -58.45 -36.47 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.609 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.3 p30 -90.93 35.42 0.9 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.437 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.25 66.2 0.01 OUTLIER Glycine 0 CA--C 1.523 0.554 0 C-N-CA 121.372 -0.442 . . . . 0.0 112.712 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.501 ' H ' ' CG ' ' A' ' 20' ' ' ASP . 62.6 m-20 -92.92 -26.87 17.4 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.83 -26.95 8.57 Favored Glycine 0 N--CA 1.464 0.558 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -130.2 176.61 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.984 0.421 . . . . 0.0 110.198 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.442 HG22 HD12 ' A' ' 27' ' ' ILE . 83.7 mt -114.79 117.58 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.99 179.63 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -77.15 -49.13 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.399 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.04 -46.27 90.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.171 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.33 -45.68 84.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.397 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -59.86 -41.23 91.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.088 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.86 97.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.299 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -58.33 -51.44 69.77 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.308 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -59.43 -46.64 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.7 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.61 -42.86 93.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.573 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -54.43 -38.36 66.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 0.0 110.396 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 p -96.57 23.61 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -128.3 -5.56 5.42 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.992 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER 177.24 -71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.696 -179.103 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.455 ' HG2' ' H ' ' A' ' 42' ' ' ASN . 6.3 tt0 -158.7 -174.24 4.68 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.319 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.455 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 37.1 t-20 -113.61 90.06 17.09 Favored Pre-proline 0 C--O 1.231 0.113 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.78 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.15 161.06 32.74 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.999 2.466 . . . . 0.0 112.13 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 47' ' ' GLU . 10.2 t -58.28 133.95 56.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.604 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -53.37 -31.41 44.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.628 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -51.93 -44.71 64.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.498 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' H ' HG22 ' A' ' 44' ' ' THR . 81.1 tt0 -64.66 -32.86 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.301 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.3 mt -75.49 -43.43 49.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.47 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -59.13 -38.35 79.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.248 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -72.4 -49.31 34.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 80.6 mtp -60.04 -43.6 95.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.312 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 HD13 ' A' ' 52' ' ' ILE . 24.1 mm -64.66 -46.11 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.502 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.3 t -72.75 -14.13 61.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.232 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -62.71 -46.86 86.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.119 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.4 t -94.2 -32.6 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.277 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.508 ' OD1' ' OD1' ' A' ' 60' ' ' ASN . 7.2 t70 -48.0 102.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.56 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.92 6.71 30.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' ' N ' ' A' ' 60' ' ' ASN . 47.0 p-10 -129.77 13.32 5.85 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.953 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.38 34.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.582 ' N ' ' O ' ' A' ' 58' ' ' ASP . 24.5 p-10 -74.92 -29.92 61.1 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.379 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.53 -3.28 36.87 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.532 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 20.8 p -139.75 155.57 47.25 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.102 0.477 . . . . 0.0 110.691 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.7 mt -102.11 125.84 56.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 121.077 0.465 . . . . 0.0 110.168 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.45 ' HG3' ' H ' ' A' ' 67' ' ' GLU . 16.6 pt-20 -88.75 173.21 8.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.398 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.7 -41.81 91.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.31 -41.5 89.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.744 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.45 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 98.5 mt-10 -72.77 -45.6 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.472 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -59.13 -44.88 92.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.911 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.17 -55.9 26.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.419 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.9 t -63.43 -44.73 93.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.7 tp -47.04 -57.32 5.16 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.473 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mmm -73.32 -54.08 9.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.224 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.38 -30.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.795 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -79.09 -55.62 4.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.068 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -74.9 91.96 2.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.072 0.463 . . . . 0.0 110.571 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 76' ' ' VAL . 55.2 t -154.29 69.14 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.468 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -109.4 -90.05 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 0.0 110.517 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 80' ' ' ASP . 51.7 t0 -147.28 -30.25 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.606 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 5.3 p 62.24 -64.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.823 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 78' ' ' ASP . 31.8 t70 -165.52 148.58 7.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.548 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.67 -55.74 9.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.242 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -55.46 -24.45 31.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -76.44 -58.13 3.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.052 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.538 ' OE2' ' NH1' ' B' ' 38' ' ' ARG . 77.0 mm-40 -69.42 -35.04 75.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.874 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.46 -37.23 84.68 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.382 0.611 . . . . 0.0 111.467 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -84.61 -46.99 10.99 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.53 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -58.45 -42.74 88.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.078 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.97 -57.38 10.91 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.162 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.26 -39.08 72.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.499 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -60.55 -38.72 85.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.542 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.0 t -75.42 -52.72 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.945 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -56.39 -47.12 79.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.173 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.549 ' O ' ' N ' ' A' ' 96' ' ' GLN . 37.6 t0 -85.89 59.52 5.68 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -38.95 -59.26 0.99 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.573 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -64.09 -8.44 11.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.456 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.549 ' N ' ' O ' ' A' ' 93' ' ' ASP . 82.6 mt-30 43.11 58.68 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.245 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -98.06 -1.06 43.36 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.786 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.502 ' O ' ' ND2' ' A' ' 137' ' ' ASN . . . 98.07 -0.42 58.9 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 34.6 m-85 -144.9 150.47 37.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.022 0.439 . . . . 0.0 110.541 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.16 115.74 37.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.218 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 p -86.99 149.32 24.85 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.166 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -44.42 68.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.973 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.4 m -60.42 -44.44 95.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -61.22 -55.0 37.1 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.658 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 41.4 tp -61.27 -21.85 64.3 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -83.39 -43.04 16.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.222 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -54.34 -52.69 60.76 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.845 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 109' ' ' MET . 8.2 t -62.04 -64.95 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.406 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.7 tpt -31.18 -76.44 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.322 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 21.0 tt -48.15 -48.17 12.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.512 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 25.6 t-20 -63.12 -9.8 12.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.323 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 109' ' ' MET . 1.1 mp -100.1 11.74 38.62 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.602 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.82 -70.95 0.23 Allowed Glycine 0 CA--C 1.521 0.452 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -52.38 115.07 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.078 0.466 . . . . 0.0 110.223 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -100.02 115.03 28.78 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.331 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.4 mt -115.1 134.57 55.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.77 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.8 p -63.9 172.62 2.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 118' ' ' ASP . 65.9 t0 -66.59 -32.18 73.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.09 -43.31 74.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.66 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.482 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 50.4 tp10 -65.08 -44.39 89.07 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.708 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.64 -44.86 98.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.15 -19.93 65.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.045 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -77.53 -63.77 1.3 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.096 0.474 . . . . 0.0 111.98 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 125' ' ' ILE . 4.9 ppp? -53.76 -42.63 68.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.593 ' N ' ' SD ' ' A' ' 124' ' ' MET . 11.0 tp -63.18 -42.2 95.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.507 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.454 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 3.0 tppp? -64.43 -36.16 83.26 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.018 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -77.27 -53.03 8.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.576 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.537 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -48.28 -42.07 29.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.129 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 67.6 t0 -78.78 115.3 18.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 109.741 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.73 -41.26 96.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.064 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.452 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -86.15 -1.5 57.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.729 -179.081 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 48.03 39.07 18.51 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 78.8 m-20 -71.61 -15.21 62.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.984 0.421 . . . . 0.0 110.335 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.02 -1.87 56.56 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -145.13 149.95 35.92 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.904 0.383 . . . . 0.0 110.309 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.9 t -108.15 123.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.849 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 98' ' ' GLY . 18.4 t-20 -89.38 159.25 17.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.429 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -49.86 -41.58 45.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.233 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.94 -52.06 65.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.452 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 94.1 mt-10 -61.42 -37.52 83.79 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -61.44 -49.0 78.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.136 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 146' ' ' MET . 41.8 t -57.55 -46.41 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.816 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -68.0 -30.15 69.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.042 0.449 . . . . 0.0 111.189 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.521 ' SD ' ' O ' ' A' ' 144' ' ' MET . 4.3 tpt -75.6 -40.55 56.29 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.613 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.619 ' O ' ' N ' ' A' ' 147' ' ' THR . 92.4 mmm -96.03 -28.91 14.41 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.523 ' N ' ' O ' ' A' ' 142' ' ' VAL . 94.8 mtp 32.83 28.45 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.186 -178.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.619 ' N ' ' O ' ' A' ' 145' ' ' MET . 9.2 m 63.68 74.83 0.41 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -178.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.62 124.0 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-O 121.0 0.429 . . . . 0.0 110.816 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.455 ' NH1' ' OD2' ' A' ' 78' ' ' ASP . 85.1 mtm180 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.793 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.426 ' H3 ' ' H ' ' B' ' 20' ' ' ARG . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.426 ' H ' ' H3 ' ' B' ' 19' ' ' ALA . 57.9 ttp180 -60.52 -31.29 70.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.494 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -60.94 -49.7 76.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.353 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.482 ' NH1' ' OE2' ' A' ' 120' ' ' GLU . 16.9 mmt85 -63.74 -45.04 91.69 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.207 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.537 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 1.7 m95 -63.23 -45.26 92.44 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -67.72 -40.27 84.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.849 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.5 t -58.48 -44.02 89.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.936 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 50.3 p -61.16 -44.05 97.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.161 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 59.4 t -67.5 -42.92 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.535 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 59.8 m -59.52 -44.85 93.05 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.393 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.69 -41.7 91.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.35 -42.16 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -59.28 -47.66 84.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.042 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -67.44 -34.98 78.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.015 0.436 . . . . 0.0 110.085 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.493 ' O ' ' C ' ' B' ' 34' ' ' ALA . 49.3 ttp180 -65.94 -55.42 16.93 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.415 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 28.54 92.36 0.01 OUTLIER 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.42 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -90.18 -5.9 55.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.024 0.44 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.503 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 76.9 mmt-85 -108.44 1.22 21.51 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.44 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.503 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.4 OUTLIER 63.3 47.2 4.11 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.456 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.538 ' NH1' ' OE2' ' A' ' 84' ' ' GLU . 13.6 ptp180 -40.24 -30.61 0.1 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.689 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' MET . . . . . 0.48 ' SD ' ' C ' ' B' ' 39' ' ' MET . 1.1 tmt? -68.87 -65.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.699 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.406 HD11 HG23 ' B' ' 40' ' ' ILE . 90.6 mt -63.03 -43.37 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.368 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.6 p -55.95 -42.72 76.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.227 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' B' ' 42' ' ' ASN . 48.5 t-20 -64.05 -41.7 97.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.358 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.632 179.808 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 51.25 -179.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.376 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.2 mm -137.5 133.54 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.465 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.2 mt -93.93 -88.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.35 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 7' ' ' GLU . 24.8 p -157.87 156.73 31.91 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.793 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -48.66 -8.75 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.118 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.557 ' H ' ' C ' ' A' ' 5' ' ' SER . 75.2 mt-10 -64.3 -52.79 56.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.262 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -52.88 -50.04 64.67 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.19 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.91 -43.63 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.024 0.44 . . . . 0.0 110.587 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.0 t -59.25 -47.55 89.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.643 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -58.94 -50.15 75.15 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.292 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -61.84 -44.39 96.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.902 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -62.45 -38.74 90.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.394 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -66.12 -51.07 61.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.404 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.0 85.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.267 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 34.0 t80 -60.36 -49.63 76.83 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.191 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.78 -30.73 66.44 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.21 -50.41 68.17 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.167 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -30.92 67.48 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.312 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -96.42 84.87 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.929 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -62.2 -40.42 96.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.019 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' GLY . 54.3 p-10 -91.67 34.22 0.99 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.054 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.97 62.19 0.01 OUTLIER Glycine 0 N--CA 1.474 1.206 0 O-C-N 123.848 0.718 . . . . 0.0 112.421 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 10.9 p-10 -87.28 -22.49 25.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.4 . . . . 0.0 110.791 -178.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 112.24 -20.69 20.99 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.2 m -143.15 136.01 27.77 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.421 HG22 HD13 ' A' ' 27' ' ' ILE . 78.0 mt -76.78 124.05 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.8 -172.76 4.15 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.711 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.1 t -80.46 -49.01 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.535 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.78 -49.43 76.37 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.622 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -55.11 -45.29 75.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.093 0.473 . . . . 0.0 110.154 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.31 -39.55 87.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.048 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.28 -45.85 92.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.811 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 m -58.21 -48.74 79.43 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.573 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.02 -46.58 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.933 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.494 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 80.9 mt -62.96 -47.19 93.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.614 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -43.85 -54.95 4.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.092 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.4 p -64.42 -36.88 85.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.432 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.98 -2.52 30.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.349 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.548 ' CG ' ' H ' ' A' ' 41' ' ' GLN . 45.8 p-10 -157.83 -128.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.952 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.548 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 87.0 mt-30 -122.68 -77.94 0.6 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.824 0.345 . . . . 0.0 110.648 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -154.48 106.07 2.38 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.686 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -77.68 -170.1 0.88 Allowed 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.193 1.928 . . . . 0.0 111.717 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 46' ' ' GLU . 29.7 m -120.86 151.88 39.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.294 0.568 . . . . 0.0 110.367 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.34 -40.82 77.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.2 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 79.8 mm-40 -61.2 -59.75 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.303 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.61 -32.53 65.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.0 0.429 . . . . 0.0 110.475 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.5 mt -73.55 -53.25 10.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.994 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.8 -24.7 67.63 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.123 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 97.9 m-20 -68.66 -58.52 4.13 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.753 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.7 ttp -61.91 -39.06 90.71 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.173 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.438 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 6.2 mm -67.77 -23.47 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.543 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -87.97 -27.05 22.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.968 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -77.22 -7.81 56.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.358 . . . . 0.0 110.636 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -118.34 -33.75 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.515 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 52' ' ' ILE . 1.3 m-20 -67.86 106.68 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.158 0.504 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.13 6.5 32.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.762 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 59' ' ' GLY . 52.0 p30 -128.65 16.0 6.45 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.715 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.39 39.82 0.03 OUTLIER Glycine 0 N--CA 1.47 0.949 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 46.7 p-10 -82.39 -30.27 30.34 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.959 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 101.73 -0.19 52.47 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 p -135.93 157.5 46.69 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 122.659 -0.318 . . . . 0.0 110.192 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.0 mt -103.12 130.41 53.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.272 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.537 ' OE2' ' ND2' ' A' ' 60' ' ' ASN . 30.8 mp0 -96.04 163.74 13.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.328 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -51.05 -45.06 61.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.468 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -61.1 -39.31 89.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.425 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -72.48 -44.76 61.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -61.3 -45.46 94.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.504 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.99 -51.79 67.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.012 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.3 t -64.34 -41.85 96.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.636 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.7 tp -50.43 -46.43 56.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.648 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.5 mmt -84.43 -61.58 1.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.964 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.8 -43.35 2.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.7 -63.63 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.723 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -121.7 105.4 10.37 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.6 t -93.88 -102.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.812 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.655 ' HZ2' HH21 ' B' ' 38' ' ' ARG . 26.7 ttpp -173.61 83.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.277 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -133.95 18.41 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 79' ' ' THR . 1.6 t -106.67 33.14 4.06 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.465 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 79' ' ' THR . 64.9 m-20 -160.12 105.1 1.52 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.991 0.424 . . . . 0.0 110.531 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.96 -54.22 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.783 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -52.7 -19.26 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.129 0.49 . . . . 0.0 110.7 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -83.63 -57.14 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.053 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.96 -37.38 84.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.142 0.496 . . . . 0.0 110.298 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.23 -42.79 83.45 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.157 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -82.05 -43.42 17.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.026 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.527 ' OE2' ' NE ' ' B' ' 38' ' ' ARG . 74.1 tt0 -61.95 -37.33 84.34 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.82 -56.04 18.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.813 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -51.97 -41.69 62.33 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.646 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -61.43 -35.66 78.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 75.4 t -76.92 -51.12 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.461 . . . . 0.0 110.817 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -63.49 -48.33 78.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.668 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.4 t0 -92.09 72.6 5.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.397 . . . . 0.0 109.978 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -44.29 -53.61 6.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.312 -178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 20.4 p-10 -74.99 -3.05 30.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.947 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.544 ' C ' ' H ' ' A' ' 98' ' ' GLY . 78.5 mt-30 39.23 28.81 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.918 0.389 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' ASP . 38.2 p-10 -58.07 -2.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.615 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 101.82 -7.6 55.45 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 35.9 m-85 -140.06 146.86 39.49 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.9 mt -91.71 115.53 30.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.413 ' HG ' ' N ' ' A' ' 102' ' ' ALA . 1.9 t -82.91 146.93 28.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.178 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.413 ' N ' ' HG ' ' A' ' 101' ' ' SER . . . -55.0 -45.21 75.05 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.483 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.1 m -59.64 -42.68 93.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.954 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.84 -53.9 43.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.134 0.493 . . . . 0.0 110.126 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -61.45 -25.34 67.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.02 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -78.23 -51.39 10.26 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.886 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -47.85 -52.3 19.6 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.538 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.553 ' O ' ' N ' ' A' ' 111' ' ' ASN . 43.4 t -60.16 -63.06 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.16 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.474 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -29.6 -70.91 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.396 0.435 . . . . 0.0 110.556 -178.249 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.459 ' C ' ' H ' ' A' ' 112' ' ' LEU . 14.6 tt -54.92 -36.17 36.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.75 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 108' ' ' VAL . 5.0 t-20 -50.98 -12.76 0.12 Allowed 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.573 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.459 ' H ' ' C ' ' A' ' 110' ' ' ILE . 4.1 mm? -89.91 -111.42 0.08 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.22 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.37 32.75 1.84 Allowed Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -139.49 114.39 9.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.623 0.249 . . . . 0.0 110.382 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -87.65 111.65 21.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.179 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 mp -119.01 130.96 55.94 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.96 0.41 . . . . 0.0 110.625 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 51.5 p -73.37 177.28 5.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.525 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.24 -26.7 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.436 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.03 -54.14 16.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.738 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -57.67 -39.42 77.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.208 0.528 . . . . 0.0 110.066 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.2 t -66.89 -43.9 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.149 0.499 . . . . 0.0 110.027 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.48 -22.14 66.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.294 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -75.77 -60.67 2.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.359 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.528 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 15.1 ptm -53.49 -45.93 69.83 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.844 -178.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.528 ' N ' ' CG ' ' A' ' 124' ' ' MET . 19.3 tt -62.76 -38.98 83.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.694 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -65.12 -40.15 94.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.634 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -79.5 -54.67 5.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.702 0.287 . . . . 0.0 110.779 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.77 -42.84 65.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.168 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.5 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 35.9 t0 -89.66 113.21 24.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.134 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.603 ' CD1' ' HZ2' ' A' ' 143' ' ' LYS . 41.0 mt -62.65 -51.07 68.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.372 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 21.6 p-10 -82.21 -12.22 58.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.805 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.687 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 61.39 -91.08 0.06 OUTLIER Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.425 -0.893 . . . . 0.0 111.274 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 132' ' ' GLY . 0.4 OUTLIER 58.07 -11.3 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 121.289 -0.164 . . . . 0.0 111.113 -179.14 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.687 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 92.99 9.88 60.4 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.432 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -150.57 160.46 43.78 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 122.527 -0.396 . . . . 0.0 110.695 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.2 t -127.71 126.71 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.504 ' ND2' ' H ' ' A' ' 138' ' ' TYR . 4.1 t-20 -86.3 155.06 20.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.504 ' H ' ' ND2' ' A' ' 137' ' ' ASN . 61.8 t80 -52.08 -42.58 63.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.384 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.87 -45.54 92.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.559 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.441 ' OE1' ' OD1' ' A' ' 131' ' ' ASP . 40.9 mt-10 -65.56 -39.1 91.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.114 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -60.94 -46.76 89.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.62 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.41 -46.14 95.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.356 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.603 ' HZ2' ' CD1' ' A' ' 130' ' ' LEU . 30.5 ttpt -60.64 -33.95 73.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.442 ' SD ' ' O ' ' A' ' 144' ' ' MET . 2.8 tmm? -79.42 -35.81 39.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.882 0.372 . . . . 0.0 110.354 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.402 ' O ' ' SD ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -61.09 -31.92 71.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.686 -179.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 58.9 mtt -45.09 166.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.862 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 23.9 m -72.99 90.03 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.257 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.7 t -75.55 130.1 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.256 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.725 -179.723 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.706 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -60.43 -38.01 82.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.316 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.446 ' O ' ' OG ' ' B' ' 25' ' ' SER . 98.9 mm-40 -67.07 -39.48 86.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -62.23 -39.8 94.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.163 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -66.8 -51.63 53.41 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.138 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -65.82 -34.7 78.75 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.011 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 64.8 m -60.69 -46.47 90.24 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.675 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 63.6 p -62.66 -44.81 95.32 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.521 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.67 -41.46 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.498 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.9 t -63.03 -43.88 97.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 63.9 mt -62.68 -41.01 90.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.3 t -57.19 -44.16 83.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.799 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.61 -43.41 98.87 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.641 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -68.51 -40.9 80.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.648 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.496 ' NH1' ' NH2' ' B' ' 35' ' ' ARG . 56.4 ttp180 -69.97 -45.26 67.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.906 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.454 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 36.86 53.08 1.09 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.86 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.496 ' NH2' ' NH1' ' B' ' 33' ' ' ARG . 37.4 ttm180 -57.1 -8.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.0 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.475 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 55.3 ttp180 -111.33 -3.57 15.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.091 0.472 . . . . 0.0 110.182 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.475 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.1 m-85 65.46 47.99 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.359 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.655 HH21 ' HZ2' ' A' ' 77' ' ' LYS . 72.9 mtp180 -40.08 -30.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.393 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' MET . . . . . 0.442 ' SD ' ' C ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -74.3 -70.06 0.42 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.849 -179.366 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.9 -24.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.304 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.0 p -76.69 -37.4 56.22 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.543 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 77.3 m-20 -104.07 12.23 34.29 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.557 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.548 ' CD1' ' N ' ' B' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.605 0 CA-C-O 117.856 -1.069 . . . . 0.0 112.269 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.554 ' C ' ' H ' ' A' ' 3' ' ' ILE . . . . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 3' ' ' ILE . 2.5 m-20 69.41 -35.2 0.3 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.043 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.554 ' H ' ' C ' ' A' ' 1' ' ' ALA . 93.9 mt -30.06 138.54 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.632 0.583 . . . . 0.0 110.771 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.35 43.66 0.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.442 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -73.98 153.82 39.58 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.228 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -55.92 -20.35 15.61 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.032 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -61.14 -56.95 14.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.479 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.482 ' C ' HE21 ' A' ' 8' ' ' GLN . 0.0 OUTLIER -47.59 -39.74 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.963 -179.708 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -66.63 -43.4 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.08 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.29 -47.98 88.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.832 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -54.34 -62.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.973 0.416 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -58.26 -41.67 84.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.423 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -63.23 -32.47 73.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.635 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -65.78 -49.21 69.14 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.192 0.52 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.03 85.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.219 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -60.42 -49.84 75.96 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.968 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.55 -30.08 61.7 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.85 -48.21 72.35 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.469 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.485 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 31.8 m-85 -62.82 -35.19 79.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 37.0 t0 -89.64 76.65 7.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.193 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -66.07 -23.77 66.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.428 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 24' ' ' ASP . 45.5 p30 -109.97 31.46 5.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.035 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 23.39 46.13 0.01 OUTLIER Glycine 0 N--CA 1.474 1.224 0 O-C-N 123.796 0.685 . . . . 0.0 111.98 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 11.3 p-10 -74.91 -27.63 60.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.843 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.499 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 110.59 -10.76 30.41 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.523 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 16.8 m -148.72 169.61 20.04 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 122.508 -0.407 . . . . 0.0 110.315 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.1 mt -111.01 115.78 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 0.0 109.995 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 m -81.85 153.03 26.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.5 t -53.16 -47.1 56.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.668 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -63.25 -50.6 69.57 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.458 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 19' ' ' PHE . 59.2 tt0 -54.21 -42.77 70.15 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.141 0.496 . . . . 0.0 109.728 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 tp -63.01 -36.17 82.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.029 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.82 -46.13 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.384 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.17 -45.82 86.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.964 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' OG ' ' A' ' 38' ' ' SER . 96.1 t -63.91 -45.81 95.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.469 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.09 -43.59 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.586 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -56.62 -44.6 81.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.416 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.62 ' C ' ' H ' ' A' ' 40' ' ' ASP . 94.3 p -55.57 -28.71 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 41' ' ' GLN . 1.5 tp -65.83 16.54 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.607 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.62 ' H ' ' C ' ' A' ' 38' ' ' SER . 3.0 t70 75.3 -37.3 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.402 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.473 ' H ' ' C ' ' A' ' 39' ' ' LEU . 95.4 mm-40 -77.9 158.13 29.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.008 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -147.26 69.84 11.71 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.83 0.348 . . . . 0.0 110.298 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.49 -152.96 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.879 2.386 . . . . 0.0 111.576 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.485 ' HG1' ' H ' ' A' ' 46' ' ' GLU . 5.6 t -119.86 148.15 43.83 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.864 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -57.53 -22.65 45.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.485 ' H ' ' HG1' ' A' ' 44' ' ' THR . 80.6 tt0 -61.38 -43.67 98.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.331 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.8 -29.02 68.85 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.044 0.45 . . . . 0.0 110.851 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 48' ' ' LEU . 8.3 mp -77.64 -47.38 19.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.895 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 53' ' ' SER . 40.7 mm-40 -66.79 -28.59 68.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.179 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' O ' ' OG ' ' A' ' 53' ' ' SER . 99.3 m-20 -66.54 -54.16 26.81 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.076 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtm -65.62 -37.97 88.1 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.768 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.0 mt -75.45 -31.38 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.013 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 7.1 p -64.81 -49.22 71.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.155 0.502 . . . . 0.0 110.891 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -64.65 -41.69 95.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.764 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.8 t -78.34 -20.92 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.024 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.82 98.77 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.045 0.45 . . . . 0.0 110.421 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.57 -17.7 35.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.528 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.7 p30 -128.24 22.94 6.05 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.971 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 28.45 39.3 0.01 OUTLIER Glycine 0 N--CA 1.472 1.036 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 47.2 p30 -79.6 -25.91 41.37 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.703 0.287 . . . . 0.0 110.894 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.532 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 97.35 -6.6 63.49 Favored Glycine 0 N--CA 1.463 0.463 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.0 p -126.29 167.02 16.05 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.3 mt -106.8 132.44 54.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.274 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.494 ' OE1' ' ND2' ' A' ' 60' ' ' ASN . 1.6 mp0 -101.37 155.69 17.9 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.344 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -42.76 -48.6 5.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.639 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -61.6 -34.6 75.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.184 0.516 . . . . 0.0 110.564 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 64' ' ' GLU . 96.5 mt-10 -75.04 -45.61 40.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.847 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -62.87 -35.93 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.716 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -61.9 2.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.454 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.3 t -62.03 -37.65 85.75 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.284 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' C ' ' CD2' ' A' ' 71' ' ' LEU . 6.6 tt -57.03 -45.41 83.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.634 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.7 tpt -86.52 -48.28 8.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.954 0.406 . . . . 0.0 111.037 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.02 -20.27 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.452 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 75' ' ' LYS . 13.2 tptt -59.02 -63.61 1.24 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.741 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.542 ' O ' ' C ' ' A' ' 76' ' ' VAL . 63.6 tttp -44.01 -90.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.698 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.542 ' C ' ' O ' ' A' ' 75' ' ' LYS . 4.1 t -4.99 108.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 O-C-N 124.706 1.254 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 44.3 tttp 78.53 99.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.381 0.425 . . . . 0.0 110.33 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 0.8 OUTLIER 165.99 -14.78 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.438 ' H ' ' HG1' ' A' ' 79' ' ' THR . 10.1 p -84.55 155.65 22.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.383 . . . . 0.0 110.836 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.55 170.22 5.28 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.4 0.619 . . . . 0.0 110.458 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.55 -52.58 24.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.351 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.4 mp0 -57.97 -19.41 30.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.637 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -78.03 -57.49 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.712 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.5 ' CD ' ' HZ2' ' B' ' 31' ' ' LYS . 80.9 mm-40 -69.92 -35.55 74.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.102 0.477 . . . . 0.0 110.784 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.48 -38.85 85.01 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.338 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -82.13 -44.55 16.33 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.332 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -60.89 -38.13 84.61 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.171 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.54 -57.34 8.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.903 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.41 ' CE1' ' OD2' ' A' ' 93' ' ' ASP . 57.0 t80 -53.72 -38.19 64.06 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.053 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -59.4 -35.72 74.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.034 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.8 t -73.44 -53.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.857 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -62.3 -47.73 83.02 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.183 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.3 t0 -80.47 62.39 4.55 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.098 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.444 ' C ' ' H ' ' A' ' 96' ' ' GLN . 36.9 ttmt -43.96 -56.51 3.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.062 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.468 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -66.04 0.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.641 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 93' ' ' ASP . 17.2 pt20 34.42 42.75 0.07 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.515 0.509 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -89.89 1.99 55.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.752 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.91 -7.58 80.98 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -130.84 135.68 47.95 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.6 mt -94.69 116.51 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.898 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 m -87.8 152.19 22.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.563 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.99 -45.47 64.51 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.632 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.0 m -57.26 -37.9 73.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.556 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 64.3 mt-10 -66.36 -54.84 19.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.224 0.535 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.67 -27.87 69.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.198 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -74.85 -46.61 35.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.056 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -55.19 -49.49 71.78 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.501 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 109' ' ' MET . 48.8 t -61.71 -62.68 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.054 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.6 OUTLIER -32.71 -76.5 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.857 0.36 . . . . 0.0 111.199 -179.211 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.553 ' C ' ' H ' ' A' ' 112' ' ' LEU . 19.7 tt -49.84 -46.7 22.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.988 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.466 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 37.9 t30 -48.63 -10.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.532 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.553 ' H ' ' C ' ' A' ' 110' ' ' ILE . 45.2 mt -103.42 -154.99 0.51 Allowed 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.616 ' N ' ' NH2' ' B' ' 33' ' ' ARG . . . -89.54 -16.34 57.05 Favored Glycine 0 CA--C 1.519 0.297 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -88.68 102.33 14.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.859 0.361 . . . . 0.0 110.114 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -90.69 110.25 21.42 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.5 mt -109.59 154.96 22.04 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.04 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.438 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 53.1 p -91.5 176.98 6.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -65.12 -38.0 89.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.887 0.375 . . . . 0.0 110.928 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -68.01 -45.42 74.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.519 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 50.2 tp10 -64.26 -39.42 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.451 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 42.3 t -60.96 -46.72 96.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.221 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.91 -39.35 85.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.255 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -57.62 -62.26 1.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.405 ' CE ' ' CD1' ' B' ' 23' ' ' TRP . 26.5 ttt -48.48 -46.69 38.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.846 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.1 mm -56.82 -37.8 55.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.651 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -78.71 -23.84 45.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.046 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -84.01 -58.14 2.9 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.497 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.671 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -58.98 -42.56 90.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.496 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.547 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 46.8 t0 -81.44 115.72 20.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.152 0.501 . . . . 0.0 110.38 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.683 ' H ' ' CD2' ' A' ' 130' ' ' LEU . 0.5 OUTLIER -67.05 -52.65 39.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.342 -178.596 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 11.5 p-10 -86.0 -8.83 57.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.531 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.722 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 63.35 -81.83 0.04 OUTLIER Glycine 0 C--O 1.228 -0.233 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.19 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.44 ' CG ' ' C ' ' A' ' 132' ' ' GLY . 0.1 OUTLIER 52.8 -12.21 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 122.261 0.224 . . . . 0.0 110.93 -179.406 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.722 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 96.13 4.51 59.88 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.498 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 14.1 pt20 -151.32 161.16 43.21 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 122.516 -0.402 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.2 t -123.93 127.62 73.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-O 120.871 0.367 . . . . 0.0 111.374 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -88.78 163.75 15.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.352 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.53 -38.68 78.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.458 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.89 -51.14 71.3 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.131 0.491 . . . . 0.0 110.716 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.448 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 88.7 mt-10 -60.21 -37.45 80.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.142 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.37 -47.66 84.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.5 -58.29 5.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.835 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -60.22 -30.51 69.45 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.977 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 144' ' ' MET . 0.7 OUTLIER -72.29 -23.66 61.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.224 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.526 ' O ' ' N ' ' A' ' 147' ' ' THR . 88.7 mmm -92.19 -19.36 22.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.471 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 55.5 mmm -62.94 52.27 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.63 0.581 . . . . 0.0 110.921 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 145' ' ' MET . 40.6 m 44.17 83.29 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.829 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 15.3 t -83.94 60.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.062 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.905 -1.045 . . . . 0.0 110.116 -179.686 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.415 ' H3 ' ' H ' ' B' ' 20' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.415 ' H ' ' H3 ' ' B' ' 19' ' ' ALA . 31.4 ptt-85 -59.49 -33.76 71.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.513 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.437 ' O ' ' OG ' ' B' ' 25' ' ' SER . 91.9 mm-40 -68.42 -39.08 81.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.613 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.519 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 83.6 mtt85 -61.83 -42.01 98.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.467 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.671 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.8 m95 -64.51 -51.04 64.96 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.172 0.51 . . . . 0.0 110.3 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -65.37 -37.83 88.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.768 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 73.0 m -60.87 -42.21 97.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.004 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -59.7 -44.41 93.69 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.27 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -68.09 -44.83 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.887 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m -68.87 -40.72 79.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.403 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' B' ' 33' ' ' ARG . 61.3 mt -62.86 -42.71 97.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.91 -46.73 95.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.154 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.5 ' HZ2' ' CD ' ' A' ' 84' ' ' GLU . 55.9 mtpt -66.95 -45.97 76.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.758 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -67.37 -38.94 85.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.671 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.616 ' NH2' ' N ' ' A' ' 113' ' ' GLY . 57.8 ttm-85 -64.55 -44.08 91.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.645 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 38.49 -86.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.45 0.468 . . . . 0.0 110.258 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.615 ' NH2' ' NH1' ' B' ' 33' ' ' ARG . 36.7 ttm180 65.53 -32.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.496 0.497 . . . . 0.0 110.364 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.645 ' H ' ' C ' ' B' ' 34' ' ' ALA . 61.3 ttt180 -86.84 -6.82 58.68 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.507 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.5 OUTLIER 64.68 43.36 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.374 179.273 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' B' ' 37' ' ' PHE . 50.4 mtm180 -35.83 -34.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.099 0.476 . . . . 0.0 110.953 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' MET . . . . . 0.439 ' N ' ' O ' ' B' ' 37' ' ' PHE . 9.6 tpt -69.02 -69.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.787 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.33 -43.05 98.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.653 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.7 t -54.61 -45.26 73.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.107 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -64.14 -41.59 97.14 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.398 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' B' ' 43' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.862 -1.066 . . . . 0.0 110.421 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.4 p30 -46.56 168.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.527 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.486 HG23 ' H ' ' A' ' 4' ' ' LEU . 1.2 mt -85.74 -157.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.364 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.486 ' H ' HG23 ' A' ' 3' ' ' ILE . 4.1 mp -138.18 28.21 2.56 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.612 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 p -65.89 143.58 57.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -52.0 -29.2 19.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.32 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -57.72 -57.19 13.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -50.46 -47.3 56.97 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.03 -43.7 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.604 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.7 t -56.76 -47.39 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -57.33 -49.75 75.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -57.78 -42.69 84.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.062 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -60.05 -39.97 87.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.22 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -59.36 -51.85 68.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.156 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -40.48 70.05 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.245 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -61.56 -47.01 87.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.87 -38.49 64.99 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.75 -46.37 82.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.748 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -67.06 -42.09 85.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.719 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.1 t0 -95.99 76.84 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.07 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.46 -30.38 64.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.129 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -102.1 32.69 3.37 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.59 64.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 O-C-N 123.486 0.491 . . . . 0.0 112.205 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . 50.1 m-20 -89.18 -25.06 22.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.16 9.43 22.15 Favored Glycine 0 N--CA 1.466 0.694 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.3 p -171.48 125.17 0.6 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.966 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mt -74.58 128.06 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.3 m -96.54 154.5 17.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.099 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.428 ' CG2' ' NE2' ' A' ' 49' ' ' GLN . 43.6 t -47.33 -45.24 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.002 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.54 -54.14 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.332 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -50.84 -42.56 58.66 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -41.0 97.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.586 179.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.02 -47.9 79.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.108 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 m -59.17 -55.0 40.59 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.61 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.73 -46.04 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.681 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.4 mt -59.75 -41.61 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.156 0.503 . . . . 0.0 109.826 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -63.79 -28.98 70.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.039 0.447 . . . . 0.0 109.903 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 t -86.47 23.83 1.53 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -112.47 8.78 19.5 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 3.1 t70 83.92 19.67 0.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.651 0.595 . . . . 0.0 110.825 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' B' ' 41' ' ' SER . 19.6 pt20 -150.71 160.49 43.81 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.343 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -143.49 75.23 16.72 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.27 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.43 165.16 31.23 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.953 2.435 . . . . 0.0 112.21 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -74.61 149.29 40.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.538 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' LEU . 4.0 mt-10 -57.42 -42.06 81.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.275 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -42.17 -46.43 4.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.452 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -67.13 -28.79 68.43 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 45' ' ' GLU . 44.1 mt -78.24 -48.76 15.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.948 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' NE2' ' CG2' ' A' ' 29' ' ' VAL . 42.8 mm-40 -63.41 -29.41 70.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.274 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -70.62 -59.69 2.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.711 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -59.39 -41.32 89.1 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.773 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.6 mt -66.02 -28.33 43.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.229 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -87.64 -22.46 24.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.872 0.368 . . . . 0.0 110.388 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -70.98 -4.19 23.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.7 t -129.67 -39.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.727 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 67.4 t0 -46.74 105.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.39 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.35 5.06 32.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.573 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.561 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 1.7 p-10 -131.43 16.21 4.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.101 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.94 39.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.539 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 42.7 p-10 -82.62 -31.67 28.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.458 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 101.57 0.48 53.07 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.521 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 13.6 p -137.49 139.99 40.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.725 0.298 . . . . 0.0 110.304 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.2 mt -93.15 127.26 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.407 . . . . 0.0 110.48 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.43 161.06 16.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.415 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -46.59 -48.93 19.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.386 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -60.59 -38.38 84.44 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.375 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -73.69 -44.36 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.617 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -61.59 -44.18 97.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.216 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.97 -59.6 5.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.325 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.463 ' HG ' ' N ' ' A' ' 71' ' ' LEU . 78.1 p -60.3 -38.08 82.52 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.557 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.463 ' N ' ' HG ' ' A' ' 70' ' ' SER . 5.1 tt -55.27 -48.57 73.83 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.962 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -81.17 -47.1 13.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.285 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.21 -34.72 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.594 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -81.52 -58.71 2.9 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -75.87 106.37 7.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.356 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.645 ' CG1' ' H ' ' A' ' 77' ' ' LYS . 47.7 t -140.92 -123.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.645 ' H ' ' CG1' ' A' ' 76' ' ' VAL . 10.2 tttm -14.4 123.34 0.01 OUTLIER 'General case' 0 C--N 1.344 0.365 0 O-C-N 123.631 0.582 . . . . 0.0 110.951 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.476 ' C ' ' OG1' ' A' ' 79' ' ' THR . 39.0 t70 -99.08 -80.13 0.47 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.155 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.476 ' OG1' ' C ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 172.24 -166.82 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.268 -179.583 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 79' ' ' THR . 88.7 m-20 58.02 133.14 0.0 OUTLIER 'General case' 0 C--O 1.242 0.678 0 CA-C-O 121.83 0.824 . . . . 0.0 110.809 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.47 -50.94 14.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.24 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 57.6 mp0 -57.4 -15.65 7.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -84.21 -55.59 4.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.427 ' CD ' ' HZ1' ' A' ' 77' ' ' LYS . 92.8 mt-10 -67.52 -38.81 84.8 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.156 0.503 . . . . 0.0 110.656 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.65 -30.35 68.02 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.707 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.6 -40.31 17.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.237 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -57.09 -43.83 82.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.036 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.04 -58.17 6.1 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.488 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 68.1 t80 -53.69 -38.48 64.28 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.369 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -62.27 -38.3 88.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.728 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.5 t -75.43 -52.16 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -62.13 -48.59 79.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.405 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 96' ' ' GLN . 10.0 t0 -88.28 62.37 6.66 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -39.89 -57.8 1.52 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.816 0.341 . . . . 0.0 111.516 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 38.3 p-10 -68.94 -7.99 40.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.542 ' N ' ' O ' ' A' ' 93' ' ' ASP . 77.8 mt-30 40.67 61.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.417 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -96.85 -1.21 46.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.583 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.424 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.08 -4.87 52.57 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.508 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 9.9 m-85 -142.92 148.47 36.98 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.756 0.312 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 mt -96.0 117.08 39.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -86.12 147.42 26.16 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.725 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.94 -43.89 66.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.6 p -60.29 -41.2 92.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.633 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.7 -50.54 62.52 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.179 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.5 tp -66.53 -23.32 66.21 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.345 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.5 ttt-85 -83.2 -43.06 16.54 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.575 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -54.47 -51.25 65.61 Favored 'General case' 0 CA--C 1.519 -0.212 0 O-C-N 123.562 0.539 . . . . 0.0 109.776 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.5 ' O ' ' C ' ' A' ' 109' ' ' MET . 21.9 t -62.5 -63.28 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.508 ' CE ' ' HG ' ' B' ' 26' ' ' SER . 0.0 OUTLIER -30.07 -74.26 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.933 -178.763 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.571 ' C ' ' H ' ' A' ' 112' ' ' LEU . 16.4 tt -49.19 -44.44 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.105 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 108' ' ' VAL . 63.8 t30 -49.7 -8.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.622 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.571 ' H ' ' C ' ' A' ' 110' ' ' ILE . 71.7 mt -97.59 10.51 39.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.506 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.98 45.73 10.12 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -135.38 130.2 34.55 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.205 0.526 . . . . 0.0 110.484 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -99.5 94.94 6.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.739 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.1 mt -100.2 131.86 45.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.324 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 p -70.42 160.57 32.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.243 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.62 -33.2 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.01 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 60.5 mp0 -68.78 -43.92 74.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.721 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -64.83 -45.19 87.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.48 -46.12 93.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.406 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.519 ' OE2' ' NZ ' ' A' ' 126' ' ' LYS . 36.9 tp10 -60.25 -27.4 67.19 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.319 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -70.94 -60.16 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.452 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.7 ttt -44.78 -54.43 6.34 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.765 0.317 . . . . 0.0 111.045 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 tp -55.84 -43.0 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.582 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.519 ' NZ ' ' OE2' ' A' ' 122' ' ' GLU . 47.8 mttp -71.34 -28.44 64.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.427 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -79.1 -55.19 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.59 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -48.37 -41.88 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.536 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.2 t0 -79.07 107.83 12.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.24 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.416 ' H ' HD22 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -79.61 -26.68 41.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 132' ' ' GLY . 5.5 p-10 -89.52 -0.6 57.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.545 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 52.51 106.91 0.01 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.451 ' OD2' ' O ' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -154.78 -22.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.614 0.245 . . . . 0.0 110.355 179.74 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.13 1.75 58.21 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.451 ' O ' ' OD2' ' A' ' 133' ' ' ASP . 7.7 mt-30 -146.95 156.3 42.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.38 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.36 122.62 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.419 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.508 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 21.3 t-20 -86.19 155.18 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.757 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -46.62 -44.33 18.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.129 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.3 -47.0 87.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.997 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.67 -39.68 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.286 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.97 -48.57 81.16 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.251 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.2 t -57.9 -47.34 86.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.268 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.27 -32.69 73.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.523 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.5 tpt -73.05 -38.7 66.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.715 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -26.31 67.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.68 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.8 mtp -41.42 157.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.719 ' HG1' ' H ' ' A' ' 149' ' ' ARG . 15.0 p -53.46 -24.83 13.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.45 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 148' ' ' VAL . 99.0 t 55.43 23.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.774 0.797 . . . . 0.0 110.425 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.719 ' H ' ' HG1' ' A' ' 147' ' ' THR . 37.5 ptt-85 . . . . . 0 C--N 1.317 -0.816 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.793 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.455 ' H2 ' ' H ' ' B' ' 20' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.455 ' H ' ' H2 ' ' B' ' 19' ' ' ALA . 2.4 mtt180 -60.01 -44.09 94.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.242 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.416 ' O ' ' OG ' ' B' ' 25' ' ' SER . 83.7 mt-30 -63.78 -42.86 97.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.419 -179.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.44 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 0.2 OUTLIER -61.91 -46.73 88.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.641 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.59 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 0.8 OUTLIER -62.73 -47.85 81.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.994 179.517 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.56 -39.98 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.13 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 72.3 m -60.61 -41.98 95.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.113 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.508 ' HG ' ' CE ' ' A' ' 109' ' ' MET . 5.8 m -60.52 -44.26 96.22 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.187 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.61 -43.33 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.616 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -65.73 -45.22 83.48 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.322 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.52 -42.93 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.234 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.48 -40.51 84.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.646 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.565 ' NZ ' HH22 ' B' ' 38' ' ' ARG . 28.3 tptt -62.86 -42.84 99.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.432 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -77.01 -14.81 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.965 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' B' ' 34' ' ' ALA . 52.9 ttp180 -79.02 -60.63 2.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.503 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 35.6 48.89 0.48 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.031 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -58.97 -4.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.194 0.521 . . . . 0.0 110.098 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.503 ' H ' ' C ' ' B' ' 34' ' ' ALA . 88.9 mtm180 -104.09 -0.36 28.76 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.547 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.433 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.3 OUTLIER 58.97 50.06 8.81 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.187 179.65 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.565 HH22 ' NZ ' ' B' ' 31' ' ' LYS . 24.9 mtm180 -50.1 -33.99 20.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.158 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' B' ' 39' ' ' MET . 0.6 OUTLIER -61.74 -69.63 0.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.146 0.498 . . . . 0.0 110.744 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.91 -44.41 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.472 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.55 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 56.6 m -53.1 -44.09 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.093 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -64.75 -41.03 96.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.514 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.289 -179.673 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.44 ' O ' ' OD1' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 1' ' ' ALA . 88.1 m-20 -144.13 -90.75 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.354 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.3 mt -122.56 129.4 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.188 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 mp -129.22 150.21 50.7 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.664 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -79.25 156.66 28.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.58 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -51.71 -22.05 3.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.453 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.53 -54.63 36.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.108 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.515 HE22 ' CG ' ' B' ' 32' ' ' ASN . 17.1 mm100 -52.06 -47.4 65.14 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.45 -47.04 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.342 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.7 t -57.75 -46.94 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -52.39 -65.56 0.54 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.148 0.499 . . . . 0.0 109.816 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -48.64 -39.4 24.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.426 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -60.88 -39.47 89.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.76 -51.13 66.27 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.65 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.73 71.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 41.9 t80 -63.12 -48.29 79.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.328 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.49 -34.13 54.71 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.78 -44.68 76.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.975 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CE2' ' CD1' ' B' ' 37' ' ' PHE . 14.9 m-85 -59.38 -37.08 77.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.471 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.528 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 95.5 m-20 -100.1 81.54 2.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.72 -19.6 64.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.361 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' GLY . 51.8 p30 -109.97 35.03 3.53 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.811 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.67 57.73 0.01 OUTLIER Glycine 0 N--CA 1.469 0.835 0 O-C-N 123.923 0.764 . . . . 0.0 111.837 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 12.3 p-10 -83.14 -27.99 29.71 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 106.66 9.1 31.42 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 10.4 m -161.27 164.88 29.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.847 0.356 . . . . 0.0 110.445 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -112.33 114.09 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.16 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.415 ' OG1' ' OE1' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -85.43 -168.03 2.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.336 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.8 t -86.57 -44.78 16.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.448 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -64.95 -40.26 94.74 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.403 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' OE1' ' OG1' ' A' ' 28' ' ' THR . 91.5 mt-10 -62.6 -49.09 76.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.856 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -62.09 -37.88 86.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.892 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.75 -48.03 83.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.281 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.8 m -56.19 -46.71 79.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.202 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.491 ' O ' ' OG ' ' A' ' 38' ' ' SER . 95.6 t -60.3 -42.51 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.365 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.69 -43.98 99.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.561 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.6 mtm-85 -62.6 -32.06 73.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' A' ' 35' ' ' VAL . 29.9 p -56.02 -30.62 62.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.221 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.8 mp -77.06 15.58 0.68 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.742 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 38' ' ' SER . 91.3 m-20 62.77 46.6 5.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.715 0.634 . . . . 0.0 110.661 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -154.01 129.44 9.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.364 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -123.09 80.89 51.39 Favored Pre-proline 0 N--CA 1.47 0.557 0 CA-C-O 121.082 0.467 . . . . 0.0 110.829 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.21 -153.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.003 2.469 . . . . 0.0 111.608 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 t -111.17 146.41 36.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.296 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -54.14 -22.62 11.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.572 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.06 -44.9 95.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.71 -29.72 70.29 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 120.973 0.416 . . . . 0.0 110.542 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 48' ' ' LEU . 9.5 mp -76.97 -55.52 5.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -59.92 -26.27 65.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.215 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 54' ' ' GLU . 45.5 t0 -68.97 -59.0 3.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.12 -41.08 99.27 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.544 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.1 mm -62.63 -30.1 48.48 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.0 m -96.48 -17.9 20.22 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.017 0.437 . . . . 0.0 110.928 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 50' ' ' ASP . 50.7 tp10 -61.9 -45.91 91.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.271 -178.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 57' ' ' ALA . 5.1 p -97.81 -44.91 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.892 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.508 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 37.1 t0 -55.79 82.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.534 -178.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.629 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.01 -67.92 0.24 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.396 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 59' ' ' GLY . 4.2 p30 -66.01 16.18 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.629 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 13.08 60.14 0.01 OUTLIER Glycine 0 C--N 1.342 0.898 0 O-C-N 124.012 0.82 . . . . 0.0 111.219 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.55 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 8.7 p-10 -81.89 -2.67 51.98 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 120.859 0.361 . . . . 0.0 110.105 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.15 2.36 71.25 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.55 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 65.6 p -139.72 146.33 39.45 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.961 0.41 . . . . 0.0 110.489 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.41 HG21 HD12 ' A' ' 63' ' ' ILE . 84.1 mt -108.66 134.54 50.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.211 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.564 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 45.6 mp0 -92.15 161.59 14.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.603 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -53.97 -45.81 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.551 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 67' ' ' GLU . 39.3 p-10 -60.47 -33.98 73.36 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.804 0.335 . . . . 0.0 110.756 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.504 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.0 mt-10 -72.98 -50.31 24.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.806 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -61.07 -44.04 97.98 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.356 0.598 . . . . 0.0 110.364 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 2.1 tt -55.94 -61.27 2.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.222 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 10.1 t -59.81 -38.69 82.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.051 0.453 . . . . 0.0 110.832 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 tp -47.61 -46.82 28.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.0 ttm -92.1 -50.54 5.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.29 -178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.08 -33.93 63.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.118 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 70' ' ' SER . 87.2 tttt -57.47 -66.02 0.53 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.301 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -121.68 103.16 8.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 110.939 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.4 t -92.4 -103.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.733 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.653 ' CG ' ' H ' ' A' ' 78' ' ' ASP . 0.4 OUTLIER -89.12 -107.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.653 ' H ' ' CG ' ' A' ' 77' ' ' LYS . 13.4 t0 74.85 22.68 1.86 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.577 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.1 t -146.0 140.29 26.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.468 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 82' ' ' GLU . 72.4 m-20 44.45 62.51 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 80' ' ' ASP . . . -35.59 -32.14 0.02 OUTLIER 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.386 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.619 ' O ' ' N ' ' A' ' 85' ' ' LEU . 44.0 tt0 -74.01 -72.26 0.28 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.109 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 82' ' ' GLU . 81.3 tt0 -34.04 -35.73 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.288 0.566 . . . . 0.0 110.005 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' GLU . 5.5 tm-20 -69.41 -46.23 67.32 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.513 178.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.619 ' N ' ' O ' ' A' ' 82' ' ' GLU . 74.7 mt -70.6 -9.39 56.79 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.53 178.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -83.51 -50.76 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.99 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' A' ' 88' ' ' ALA . 2.6 pp20? -64.81 -35.12 80.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.537 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -62.21 -47.89 82.44 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.97 -37.47 84.92 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.077 0.465 . . . . 0.0 110.051 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -58.84 -32.08 69.09 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.343 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.75 -52.96 15.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -56.4 -43.59 79.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.867 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 96' ' ' GLN . 41.1 t0 -95.83 77.07 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.134 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -41.93 -61.33 1.15 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.972 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 38.7 p-10 -65.89 -1.76 3.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 93' ' ' ASP . 18.7 pt20 33.79 44.42 0.08 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.566 0.542 . . . . 0.0 111.009 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -82.25 1.03 38.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.127 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.89 -9.19 61.72 Favored Glycine 0 N--CA 1.461 0.348 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -130.17 135.79 48.56 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.699 0.285 . . . . 0.0 110.563 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.1 mt -89.72 112.04 23.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.0 p -83.17 157.16 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.696 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.71 97.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.603 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -58.65 -43.42 89.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -69.0 -53.04 22.67 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.943 0.401 . . . . 0.0 110.352 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.0 tp -58.02 -27.46 63.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.485 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -82.06 -40.72 21.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.26 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 111' ' ' ASN . 52.7 t60 -54.37 -56.58 17.11 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.006 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' ' 109' ' ' MET . 3.5 t -61.31 -64.44 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.502 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.516 ' C ' ' O ' ' A' ' 108' ' ' VAL . 3.6 tpt -30.1 -73.44 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.394 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.509 ' C ' ' H ' ' A' ' 112' ' ' LEU . 10.7 tp -52.81 -43.29 45.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.462 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 66.4 t30 -46.9 -13.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.787 0.327 . . . . 0.0 110.585 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 110' ' ' ILE . 62.4 mt -96.25 -161.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.258 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.39 0.93 83.58 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -70.45 -173.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.772 0.32 . . . . 0.0 110.426 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt 178.72 75.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.334 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 3.7 mm? -103.65 156.18 17.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.836 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.7 p -78.35 -178.17 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.563 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -73.65 -30.82 63.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.018 0.437 . . . . 0.0 110.661 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 58.1 mp0 -76.14 -41.15 50.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -65.99 -42.31 89.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.09 -49.3 83.92 Favored 'Isoleucine or valine' 0 C--O 1.246 0.869 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.35 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.36 -28.55 68.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.171 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.438 ' O ' ' OE1' ' A' ' 123' ' ' GLN . 0.1 OUTLIER -67.41 -53.06 32.52 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.708 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.4 ttt -50.97 -59.07 4.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.819 0.343 . . . . 0.0 110.647 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.0 tt -54.35 -37.11 36.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.631 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.94 -44.92 87.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.762 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.36 -46.54 66.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.624 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -58.17 -25.77 61.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.516 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 47.9 t0 -98.04 103.11 15.02 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.933 0.397 . . . . 0.0 110.016 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.431 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 10.2 mp -62.0 -49.1 77.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 2.8 p30 -77.46 -5.23 49.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.654 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 46.38 44.06 15.25 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.538 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.526 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 57.7 m-20 -69.25 -7.53 37.68 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.45 -3.28 53.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -152.99 176.27 12.05 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 120.854 0.359 . . . . 0.0 110.365 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.5 t -124.3 125.78 71.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.951 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -90.97 156.28 18.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.732 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -48.67 -42.76 35.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.193 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.98 -48.67 80.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.919 0.39 . . . . 0.0 110.247 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.2 -40.72 98.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -61.09 -49.7 76.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.974 0.416 . . . . 0.0 110.583 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.15 -43.97 94.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.258 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.42 ' O ' ' OG1' ' A' ' 147' ' ' THR . 32.5 ttpt -62.28 -35.89 80.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.265 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 144' ' ' MET . 0.4 OUTLIER -72.81 -30.0 63.71 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.938 0.399 . . . . 0.0 111.129 179.55 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 92.2 mmm -89.46 -29.01 19.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.54 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 87.7 mmm -108.34 48.86 0.83 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.94 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.643 ' C ' ' H ' ' A' ' 149' ' ' ARG . 10.2 m -165.42 -76.85 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.486 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.9 t 65.54 -33.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.986 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.643 ' H ' ' C ' ' A' ' 147' ' ' THR . 96.9 mtt180 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.447 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -62.02 -38.96 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.444 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.82 -39.81 87.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.364 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -62.01 -39.77 93.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.031 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.624 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 2.0 m95 -63.05 -51.93 64.76 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.288 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -65.24 -34.34 78.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.104 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.5 t -60.4 -45.79 92.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.498 ' OG ' ' SD ' ' A' ' 109' ' ' MET . 16.3 m -59.82 -46.43 89.24 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.609 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 90.1 t -68.82 -42.55 82.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.524 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 63.8 p -64.28 -40.45 95.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' B' ' 33' ' ' ARG . 51.5 mt -61.95 -42.83 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.275 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' B' ' 34' ' ' ALA . 38.2 t -60.86 -44.4 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.154 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -76.63 -25.28 53.64 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.747 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . 0.515 ' CG ' HE22 ' A' ' 8' ' ' GLN . 99.2 m-20 -90.98 -13.69 32.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.118 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' B' ' 35' ' ' ARG . 69.3 ttt180 -109.49 -47.52 3.37 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.424 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.582 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 63.37 -66.54 0.1 Allowed 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 123.275 0.36 . . . . 0.0 110.497 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' B' ' 33' ' ' ARG . 67.9 ttp85 68.45 -37.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.425 0.453 . . . . 0.0 110.395 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.582 ' H ' ' C ' ' B' ' 34' ' ' ALA . 87.0 mtt180 -97.71 -6.36 33.16 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.692 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.522 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER 66.0 57.37 0.8 Allowed 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 121.006 0.431 . . . . 0.0 110.358 179.379 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 38' ' ' ARG . 36.8 mtp-105 -46.96 -39.47 12.45 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.911 0.386 . . . . 0.0 110.421 -178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -66.64 -67.96 0.41 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.49 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.441 HG22 HD12 ' B' ' 40' ' ' ILE . 93.7 mt -60.79 -42.85 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.115 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' B' ' 37' ' ' PHE . 87.8 p -51.46 -45.37 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.119 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -63.01 -42.08 99.74 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.618 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' B' ' 43' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.216 -0.671 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.721 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -140.95 147.71 39.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.478 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.2 mt -83.32 -63.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.343 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 177.46 79.14 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.327 0.584 . . . . 0.0 110.521 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -81.72 150.4 28.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.495 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -54.88 -23.3 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.402 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -59.93 -28.06 67.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.245 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -76.32 -52.73 9.36 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.12 -39.95 84.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.056 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.79 -49.48 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.196 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.526 ' CG ' ' HE ' ' B' ' 33' ' ' ARG . 50.7 t0 -51.98 -51.73 55.29 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.244 0.545 . . . . 0.0 110.069 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -61.83 -37.26 83.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.278 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -57.93 -41.78 83.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.186 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.07 -47.86 82.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.043 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.31 82.3 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.338 0.589 . . . . 0.0 110.278 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.44 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 18.9 t80 -59.01 -46.48 88.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.329 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.92 -38.55 65.38 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.32 -44.39 96.61 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.239 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.501 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 21.6 m-85 -70.52 -40.34 73.54 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.862 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 11.4 t0 -92.5 81.99 4.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.536 ' NZ ' ' CG2' ' A' ' 35' ' ' VAL . 3.5 mptp? -59.24 -42.18 90.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.264 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 23' ' ' GLY . 2.8 p30 -92.16 32.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.525 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.74 57.5 0.01 OUTLIER Glycine 0 N--CA 1.473 1.151 0 O-C-N 123.63 0.581 . . . . 0.0 111.761 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 22' ' ' ASP . 57.9 m-20 -78.28 -28.6 47.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.457 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.456 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 110.51 11.89 18.41 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 11.6 m -160.0 164.35 33.35 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.308 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.8 mt -116.42 126.6 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.963 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.82 -165.17 1.18 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.9 t -90.0 -38.83 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.825 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -67.85 -39.0 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -69.14 -51.15 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.95 0.405 . . . . 0.0 110.061 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -61.63 -36.25 80.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.177 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.97 98.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.144 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.8 m -59.2 -51.4 70.13 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.972 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.536 ' CG2' ' NZ ' ' A' ' 21' ' ' LYS . 79.4 t -61.38 -43.12 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.085 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.9 mt -60.15 -44.54 95.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -65.53 -21.73 66.64 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.983 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -94.59 19.69 9.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.332 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -109.19 10.87 25.75 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.45 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 3.1 t70 77.88 23.33 0.78 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.421 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -152.62 154.74 35.97 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -135.63 77.93 50.95 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -65.61 154.85 71.96 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 123.178 2.585 . . . . 0.0 111.732 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 t -67.62 141.76 56.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.386 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.53 -34.36 72.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.431 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -54.03 -56.78 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.473 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -66.23 -34.62 78.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.919 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.4 -53.22 59.42 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.039 0.447 . . . . 0.0 110.443 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.69 -37.89 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.41 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -66.69 -41.9 87.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.688 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -61.13 -45.81 93.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.785 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.53 -41.77 91.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.1 p -65.78 -33.86 76.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.01 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -59.5 -40.65 87.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.733 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.7 t -87.34 -37.73 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.546 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 36.0 t0 -76.31 94.4 3.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.563 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -42.53 -63.51 0.76 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.47 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' O ' ' C ' ' A' ' 59' ' ' GLY . 4.6 p30 -69.08 12.63 0.14 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 11.59 60.29 0.01 OUTLIER Glycine 0 N--CA 1.476 1.328 0 O-C-N 124.245 0.966 . . . . 0.0 111.218 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.752 ' ND2' ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -87.12 -9.36 55.5 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.696 0.284 . . . . 0.0 110.394 -179.039 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.621 ' N ' HD21 ' A' ' 60' ' ' ASN . . . 94.3 5.38 62.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.752 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 20.7 p -133.89 128.03 33.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.76 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.6 mt -94.9 117.78 39.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.992 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -83.01 158.76 22.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.341 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -45.59 -55.23 6.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.022 0.439 . . . . 0.0 110.625 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -53.37 -36.2 61.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.916 0.389 . . . . 0.0 110.754 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -73.47 -43.89 59.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -59.49 -47.95 83.53 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.272 0.558 . . . . 0.0 110.493 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 73' ' ' ALA . 10.8 mp -62.63 -46.98 85.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.41 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.5 p -55.75 -44.9 78.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.765 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.3 tp -50.86 -58.84 4.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.919 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.6 mtt -79.17 -45.75 19.31 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.879 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 69' ' ' LEU . . . -47.43 -30.3 3.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.75 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -53.39 -70.62 0.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.789 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 76' ' ' VAL . 19.3 pttp 176.34 69.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 75' ' ' LYS . 9.9 p -38.1 157.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.996 0.427 . . . . 0.0 110.173 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 6.0 tppt? -119.9 -39.81 2.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.29 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.496 ' CG ' ' HE ' ' B' ' 38' ' ' ARG . 12.2 t0 83.58 -69.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.582 0.551 . . . . 0.0 110.544 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.8 -72.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.464 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -153.53 166.48 32.59 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.672 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.3 36.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.961 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.589 ' O ' ' N ' ' A' ' 85' ' ' LEU . 95.5 mt-10 -72.28 -68.34 0.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.379 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLU . 60.9 mm-40 -34.76 -39.25 0.09 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.616 0.722 . . . . 0.0 109.985 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -69.33 -46.85 66.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.073 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' A' ' 82' ' ' GLU . 42.2 mt -62.32 -13.8 32.58 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 110.332 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -83.06 -46.58 12.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.572 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.35 -45.86 91.97 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.21 -49.55 75.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.675 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -58.9 -41.62 87.66 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.934 0.397 . . . . 0.0 110.439 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -59.58 -36.51 76.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.386 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.0 t -72.7 -60.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.141 0.496 . . . . 0.0 110.284 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -49.75 -42.12 45.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' A' ' 96' ' ' GLN . 26.2 t0 -88.62 58.86 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.045 179.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' NZ ' ' CD2' ' A' ' 107' ' ' HIS . 53.1 mtpt -39.38 -58.58 1.21 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 5.4 p30 -63.41 -13.38 39.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.654 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 93' ' ' ASP . 74.4 mt-30 48.57 69.08 0.6 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.507 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.462 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 10.3 m120 -107.83 -1.72 20.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.315 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.36 2.09 62.13 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.615 ' CB ' HE21 ' A' ' 135' ' ' GLN . 1.1 m-85 -145.47 150.69 36.95 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.9 mt -96.98 111.0 26.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 p -84.05 154.73 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.107 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.6 -44.24 80.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.1 p -61.23 -44.82 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.94 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.446 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 37.4 mt-10 -61.31 -53.63 54.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.099 0.476 . . . . 0.0 109.987 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.6 tp -62.35 -21.5 65.36 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.26 0.552 . . . . 0.0 110.429 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -83.3 -40.71 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.983 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.524 ' HD1' ' C ' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -56.91 -52.47 65.05 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 112' ' ' LEU . 10.8 t -60.82 -64.46 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.25 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -32.57 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.532 0.52 . . . . 0.0 111.16 -179.015 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.484 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 10.8 tp -53.22 -44.93 54.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.788 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.484 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 55.7 t30 -69.23 -8.7 48.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.487 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 108' ' ' VAL . 11.1 tp -86.92 18.01 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.825 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.76 -10.71 37.49 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -86.04 141.96 29.09 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -104.49 94.31 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.642 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -108.66 130.58 55.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.252 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.7 p -68.66 172.57 6.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.236 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 45.4 p-10 -72.33 -34.24 67.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -68.8 -39.54 80.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.588 179.76 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.498 ' OE1' ' NH1' ' B' ' 22' ' ' ARG . 6.9 mm-40 -63.61 -46.14 87.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.174 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.52 -47.12 94.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.47 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.64 -22.74 67.05 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.352 0.596 . . . . 0.0 110.383 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -75.45 -57.88 3.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.112 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.546 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 10.1 ttp -55.12 -48.89 73.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 126' ' ' LYS . 4.4 tp -58.8 -42.38 85.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.494 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.458 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 55.4 mttp -69.13 -37.82 78.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.237 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -79.02 -61.95 1.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.195 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -45.19 -30.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.61 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 41.5 t0 -87.28 118.0 26.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.45 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.665 ' H ' ' CD2' ' A' ' 130' ' ' LEU . 1.3 mm? -65.95 -48.43 71.35 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.461 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 13.3 p-10 -92.97 -5.42 50.74 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.091 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.53 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 67.43 -125.65 23.98 Favored Glycine 0 C--O 1.225 -0.411 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 132' ' ' GLY . 1.7 m-20 79.73 8.95 1.57 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.765 0.317 . . . . 0.0 110.492 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.41 13.19 49.1 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.615 HE21 ' CB ' ' A' ' 99' ' ' TYR . 51.7 tt0 -144.72 136.73 25.96 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.7 t -113.2 126.44 70.62 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.206 0.527 . . . . 0.0 110.431 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -91.84 150.0 21.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.569 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -44.64 -40.32 5.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.298 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.47 -51.45 69.81 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.414 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.443 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 91.0 mt-10 -60.88 -39.68 90.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.059 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -59.23 -50.98 71.95 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.688 0.756 . . . . 0.0 110.093 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.75 -42.32 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.772 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 147' ' ' THR . 50.6 mttm -56.27 -38.3 70.99 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.648 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.9 ttt -62.64 -40.35 96.74 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.97 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 16.0 mmm -78.9 -15.19 58.65 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.581 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.53 ' O ' ' OG1' ' A' ' 147' ' ' THR . 53.8 mtt -132.17 32.32 4.01 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.312 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.55 ' N ' ' O ' ' A' ' 143' ' ' LYS . 1.3 m 158.92 105.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.853 0.721 . . . . 0.0 110.239 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.402 HG22 ' HE ' ' B' ' 20' ' ' ARG . 93.4 t -80.63 -67.39 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.26 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 . . . . . 0 C--N 1.324 -0.523 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.85 -179.633 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.402 ' HE ' HG22 ' A' ' 148' ' ' VAL . 74.6 ttt-85 -59.51 -47.37 85.8 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.128 0.49 . . . . 0.0 110.586 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -68.0 -36.28 79.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.352 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.498 ' NH1' ' OE1' ' A' ' 120' ' ' GLU . 34.6 ttm180 -61.96 -44.43 96.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.546 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 0.5 OUTLIER -60.14 -47.91 83.92 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.367 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -65.86 -34.57 78.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.705 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.0 t -61.83 -44.44 96.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.834 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.58 ' HG ' ' N ' ' B' ' 27' ' ' VAL . 20.4 p -61.18 -42.83 99.27 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.148 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.58 ' N ' ' HG ' ' B' ' 26' ' ' SER . 88.0 t -68.89 -42.11 82.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.401 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.518 ' HG ' ' N ' ' B' ' 29' ' ' ILE . 68.1 p -67.46 -45.95 74.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.247 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.518 ' N ' ' HG ' ' B' ' 28' ' ' SER . 81.5 mt -61.64 -41.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.7 t -60.62 -44.43 96.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.031 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -62.66 -40.07 95.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.234 -0.586 . . . . 0.0 109.96 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.56 -38.28 80.63 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.343 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.526 ' HE ' ' CG ' ' A' ' 11' ' ' ASP . 2.6 ttm180 -64.4 -43.64 93.8 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.824 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.528 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 40.06 61.45 1.5 Allowed 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -74.87 29.42 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.188 0.518 . . . . 0.0 109.964 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.528 ' H ' ' C ' ' B' ' 34' ' ' ALA . 25.7 ttm180 -148.93 -7.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.124 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.479 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.3 m-85 67.09 51.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.322 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.496 ' HE ' ' CG ' ' A' ' 78' ' ' ASP . 43.6 mtm-85 -50.35 -36.43 32.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.412 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 7.7 tpt -62.97 -70.27 0.22 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 110.932 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -62.82 -43.33 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.607 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 35.4 t -53.55 -45.54 69.91 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.224 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -64.82 -40.28 94.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.267 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.238 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.623 ' CG ' ' H ' ' A' ' 3' ' ' ILE . 16.5 p-10 -160.1 -95.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.678 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.623 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 41.1 mm -59.28 -56.6 15.99 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.487 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.4 ' CB ' ' O ' ' A' ' 3' ' ' ILE . 1.0 OUTLIER 166.83 78.46 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 O-C-N 123.747 0.654 . . . . 0.0 110.637 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -72.91 161.48 30.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.795 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 42.0 mp0 -55.97 -22.06 24.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.402 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.2 -54.62 38.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 4.9 mp0 -48.54 -39.29 22.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 1.5 mp -69.66 -43.22 80.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.357 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.7 t -61.63 -49.85 82.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.17 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.02 -48.87 78.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.021 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.8 -42.29 88.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.359 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -64.74 -35.12 80.03 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.415 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.66 -49.53 77.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.258 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.08 84.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -60.11 -51.1 71.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.581 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.69 -31.14 74.24 Favored Glycine 0 N--CA 1.453 -0.172 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.64 -52.61 62.65 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.242 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -29.97 69.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.971 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -94.76 81.55 3.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.624 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.4 -16.16 61.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.616 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 1.9 p30 -112.63 26.99 10.02 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.741 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 21.75 61.49 0.02 OUTLIER Glycine 0 C--N 1.34 0.753 0 O-C-N 123.785 0.678 . . . . 0.0 111.897 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 53.1 m-20 -89.91 -27.65 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.102 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.13 -1.98 28.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.4 p -159.96 165.91 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.626 0.25 . . . . 0.0 110.379 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 52.8 mt -109.55 111.8 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -168.06 1.56 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.9 t -81.4 -50.23 16.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.39 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -62.1 -45.01 95.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.172 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -53.79 -48.06 70.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.652 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -61.91 -41.86 98.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.496 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.25 -51.95 66.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.359 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.4 m -56.18 -47.86 77.47 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.053 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.83 -44.08 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.113 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 40' ' ' ASP . 66.6 mt -62.36 -42.94 97.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.204 179.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.519 ' O ' ' O ' ' A' ' 40' ' ' ASP . 61.1 ttm-85 -51.55 -57.64 8.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.051 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 t -62.72 -40.79 98.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.955 0.407 . . . . 0.0 110.106 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 37.5 tp -77.22 -3.49 39.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.982 0.896 . . . . 0.0 110.026 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 36' ' ' ILE . 29.5 t0 -158.12 -140.97 0.08 Allowed 'General case' 0 C--N 1.311 -1.072 0 O-C-N 121.51 -0.744 . . . . 0.0 110.589 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.535 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 97.9 mm-40 -107.69 -87.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.143 0.497 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -168.76 63.23 0.53 Allowed Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.758 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.91 140.42 66.48 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.58 2.186 . . . . 0.0 111.65 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.1 t -51.23 133.53 28.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.204 0.526 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -52.14 -19.75 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.431 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -61.69 -44.94 95.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.722 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -67.0 -30.76 70.96 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.375 0.607 . . . . 0.0 110.455 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.6 mt -75.71 -45.78 34.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.975 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -69.06 -23.68 64.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.091 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.49 -57.01 6.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.577 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -66.58 -37.65 85.36 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.682 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.7 mm -72.46 -13.11 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.727 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -91.75 -36.05 13.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.145 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.6 -40.09 96.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.993 0.425 . . . . 0.0 111.367 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.9 t -84.52 -11.74 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.94 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -80.2 99.38 7.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.695 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.77 3.97 46.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.764 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -129.14 21.61 5.74 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.825 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.1 39.47 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.582 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 52.0 p-10 -87.76 -27.23 22.47 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 121.2 -0.2 . . . . 0.0 110.636 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 87.09 9.13 74.17 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.483 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 22.4 p -134.11 160.75 36.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.916 0.388 . . . . 0.0 110.463 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.5 mt -109.59 131.12 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.084 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.556 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 52.6 mp0 -107.22 160.04 15.89 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.221 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -44.68 -48.56 10.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.694 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.544 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 15.5 p-10 -60.85 -34.7 75.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.067 0.46 . . . . 0.0 110.298 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' OD1' ' A' ' 58' ' ' ASP . 92.6 mt-10 -77.27 -43.61 32.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.592 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.4 -45.61 93.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.865 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.39 -46.35 89.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.182 0.515 . . . . 0.0 109.938 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.2 t -60.67 -41.61 95.41 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.212 0.529 . . . . 0.0 110.8 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.8 tp -56.71 -53.12 61.37 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.462 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.517 ' O ' ' O ' ' A' ' 75' ' ' LYS . 11.2 mmt -70.79 -38.81 73.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.9 -32.02 8.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.523 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -81.12 -40.2 24.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.631 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.517 ' O ' ' O ' ' A' ' 72' ' ' MET . 13.6 mptt -88.43 144.84 26.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.036 0.446 . . . . 0.0 109.886 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 t 68.43 40.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.504 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -158.38 109.76 2.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.898 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 77.57 21.44 1.0 Allowed 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.79 0.681 . . . . 0.0 110.453 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.8 p -62.42 -83.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.675 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -175.03 149.68 1.12 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.389 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.51 -54.87 14.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.737 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -54.56 -20.78 8.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.648 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -79.0 -58.14 3.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.164 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.51 -35.21 77.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.42 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.72 -41.85 95.67 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -80.91 -39.41 26.31 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.262 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 87' ' ' GLU . 9.8 tm-20 -61.19 -39.66 91.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.23 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.95 -59.1 4.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.834 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -55.03 -31.82 61.39 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.353 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' HA ' HE22 ' A' ' 96' ' ' GLN . 65.8 tttm -64.0 -39.91 95.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.428 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.4 t -73.54 -47.32 45.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.134 0.493 . . . . 0.0 111.126 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -63.4 -49.37 74.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.695 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 96' ' ' GLN . 21.5 t0 -77.37 62.03 2.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.978 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -43.92 -58.39 2.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.405 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 0.5 OUTLIER -71.36 3.68 3.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 111.005 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' ASP . 65.8 mm-40 46.09 25.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.016 0.436 . . . . 0.0 110.579 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.3 p-10 -65.71 -7.04 13.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.78 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.428 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 88.46 -0.09 82.8 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -136.7 140.9 43.01 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.8 mt -95.84 117.83 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.091 0.472 . . . . 0.0 110.073 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 t -88.19 145.98 25.62 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.77 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.11 -45.93 44.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.225 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.5 t -59.86 -43.17 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 110.38 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 44.3 mt-10 -63.83 -51.04 66.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.169 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 tp -65.61 -26.85 68.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.896 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.438 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.6 ttm180 -78.34 -44.03 26.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.099 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -55.93 -49.7 72.77 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.588 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 109' ' ' MET . 55.1 t -62.88 -62.38 1.21 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.914 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -31.72 -71.17 0.06 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.799 0.333 . . . . 0.0 110.984 -178.862 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.511 ' C ' ' H ' ' A' ' 112' ' ' LEU . 16.6 tt -53.14 -44.3 51.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.533 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.418 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 62.2 t30 -48.23 -11.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.634 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.553 ' O ' ' NH2' ' B' ' 33' ' ' ARG . 74.9 mt -86.97 12.9 10.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.222 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.03 5.48 75.92 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -93.33 138.25 31.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.811 0.339 . . . . 0.0 110.432 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -84.58 93.43 8.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.413 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 4.3 mm? -97.61 129.97 44.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.446 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.496 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 7.7 p -90.86 162.14 14.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.246 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.77 -33.97 77.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.342 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.16 -47.44 74.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.614 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.496 ' H ' ' HG1' ' A' ' 117' ' ' THR . 98.1 mt-10 -60.0 -43.71 95.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.577 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.438 HG11 ' HE ' ' A' ' 106' ' ' ARG . 90.1 t -62.36 -43.83 98.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.576 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -67.26 -24.41 65.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.542 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.15 -59.19 2.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.052 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.623 ' SD ' ' N ' ' A' ' 125' ' ' ILE . 3.7 ppp? -58.06 -43.47 86.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.623 ' N ' ' SD ' ' A' ' 124' ' ' MET . 3.5 tp -62.8 -36.96 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-O 121.084 0.469 . . . . 0.0 110.174 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -63.67 -39.59 94.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.231 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -75.49 -46.49 32.04 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.456 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -61.47 -39.99 92.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.081 0.467 . . . . 0.0 110.278 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 54.0 t0 -79.23 105.82 10.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.075 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.82 -43.3 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.191 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 10.0 p30 -89.12 1.96 54.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.633 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 45.4 33.51 4.33 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.511 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.1 p-10 -71.21 -11.23 60.82 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.617 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.28 6.28 57.74 Favored Glycine 0 N--CA 1.465 0.586 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -148.8 160.35 43.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.837 0.351 . . . . 0.0 110.348 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.11 125.49 72.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.367 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.625 HD21 ' N ' ' A' ' 137' ' ' ASN . 0.6 OUTLIER -91.42 172.92 8.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.315 179.45 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -59.43 -40.34 86.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.421 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -60.29 -54.48 45.18 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.048 0.451 . . . . 0.0 110.698 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -60.45 -34.85 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.262 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.45 -46.46 89.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.65 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.6 t -59.8 -45.65 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.261 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -59.92 -38.03 81.16 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.808 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 74.9 mmm -67.91 -30.39 69.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.15 0.5 . . . . 0.0 110.381 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.7 mmt -74.09 -29.34 61.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.197 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.2 mmm -56.84 167.52 0.77 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.8 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.538 ' O ' ' N ' ' A' ' 149' ' ' ARG . 0.0 OUTLIER -46.78 -51.39 16.48 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.377 -179.314 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 149' ' ' ARG . 68.5 t 61.48 -66.88 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 O-C-N 123.853 0.72 . . . . 0.0 111.333 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 147' ' ' THR . 28.1 ptt-85 . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 117.809 -1.091 . . . . 0.0 110.699 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.489 ' NH1' HE21 ' B' ' 21' ' ' GLN . 7.2 ptm180 -60.14 -36.53 77.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.318 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.489 HE21 ' NH1' ' B' ' 20' ' ' ARG . 92.2 mm-40 -64.84 -41.65 95.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.542 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -62.36 -38.6 90.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.456 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 3.0 m95 -66.45 -51.08 60.67 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-O 121.204 0.526 . . . . 0.0 110.136 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -65.82 -36.81 84.55 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.145 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 68.9 m -60.19 -44.47 95.08 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.111 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -60.16 -44.35 95.07 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.231 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.66 -41.06 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.466 0.65 . . . . 0.0 110.523 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.45 ' HG ' ' N ' ' B' ' 29' ' ' ILE . 44.0 p -71.22 -36.61 71.93 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.079 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.45 ' N ' ' HG ' ' B' ' 28' ' ' SER . 57.2 mt -66.3 -44.07 91.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.562 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -36.67 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 C-N-CA 120.496 -0.481 . . . . 0.0 109.895 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -69.98 -47.19 63.23 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.644 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -69.53 -34.67 74.57 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.042 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.553 ' NH2' ' O ' ' A' ' 112' ' ' LEU . 49.9 ttm-85 -60.9 -52.16 66.21 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 22.66 48.41 0.01 OUTLIER 'General case' 0 C--N 1.349 0.553 0 O-C-N 124.13 0.894 . . . . 0.0 111.255 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' B' ' 33' ' ' ARG . 70.8 ttt-85 -55.15 -8.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.145 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.522 ' H ' ' C ' ' B' ' 34' ' ' ALA . 10.4 ptp85 -111.22 8.34 21.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.823 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.416 ' O ' ' CB ' ' B' ' 41' ' ' SER . 2.4 m-85 47.36 78.69 0.07 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.256 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -59.95 -32.91 71.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.398 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' MET . . . . . 0.427 ' O ' ' N ' ' B' ' 43' ' ' LEU . 6.5 tpt -68.12 -60.63 2.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.25 0.548 . . . . 0.0 110.702 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.421 HG23 HD13 ' B' ' 40' ' ' ILE . 89.2 mt -63.41 -42.57 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.353 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 46.8 t -58.59 -44.02 89.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.337 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.524 ' O ' ' C ' ' B' ' 43' ' ' LEU . 25.2 t-20 -90.06 -6.38 55.57 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 118.784 -0.627 . . . . 0.0 111.211 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 117.588 -1.196 . . . . 0.0 111.353 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -99.85 116.31 31.63 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.692 ' CG2' ' H ' ' A' ' 4' ' ' LEU . 13.1 tt -172.81 -67.6 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.958 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.693 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.692 ' H ' ' CG2' ' A' ' 3' ' ' ILE . 0.6 OUTLIER 41.7 126.57 0.0 OUTLIER 'General case' 0 C--N 1.35 0.594 0 O-C-N 125.249 1.593 . . . . 0.0 111.566 -179.184 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 m -130.36 -171.37 2.53 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 120.759 -1.213 . . . . 0.0 110.24 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 43.2 mp0 -55.77 -27.27 50.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.279 -179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 7' ' ' GLU . 46.8 mp0 -49.44 -61.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.989 0.423 . . . . 0.0 110.376 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -49.15 -45.77 44.25 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.789 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.494 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 1.3 mp -64.64 -41.22 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.213 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 t -58.91 -49.51 82.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.949 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.58 -52.26 65.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.277 0.561 . . . . 0.0 110.144 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -62.48 -43.63 98.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.921 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -60.56 -36.01 77.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.387 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -60.45 -51.08 71.01 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.874 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.05 78.2 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.272 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.26 -49.3 76.5 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.168 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.09 -36.96 57.6 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.63 -49.55 76.12 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.535 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.445 ' CE2' ' CD1' ' B' ' 37' ' ' PHE . 3.4 m-85 -60.28 -38.06 82.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.263 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 53.1 t0 -96.35 76.53 2.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -61.32 -38.28 86.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.165 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 23' ' ' GLY . 21.4 p-10 -86.15 32.0 0.63 Allowed 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.82 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.512 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 13.76 60.13 0.01 OUTLIER Glycine 0 C--N 1.351 1.393 0 O-C-N 124.179 0.924 . . . . 0.0 111.555 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 50.9 p-10 -88.49 -26.41 22.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 110.369 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.516 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.65 14.03 15.14 Favored Glycine 0 N--CA 1.467 0.721 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.5 p -166.32 170.25 13.29 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.44 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.417 HG22 HD11 ' A' ' 27' ' ' ILE . 63.9 mt -113.92 115.94 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -83.94 -177.91 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.15 0.5 . . . . 0.0 110.972 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -81.49 -47.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.562 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.94 -42.71 97.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 42.0 mt-10 -61.62 -47.13 86.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.473 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -59.89 -37.62 79.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.107 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.91 79.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.653 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.2 m -60.44 -46.23 90.79 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.237 0.542 . . . . 0.0 110.529 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.71 -45.44 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.363 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' ASP . 78.7 mt -57.09 -42.43 79.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.686 -0.406 . . . . 0.0 109.932 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -66.83 -23.41 66.04 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.188 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.4 p -74.13 -39.3 63.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.065 0.46 . . . . 0.0 110.859 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 1.6 pp -95.03 14.73 20.88 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.875 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 13.2 t0 87.7 165.36 0.07 Allowed 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 123.878 0.736 . . . . 0.0 109.319 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 27.4 tt0 86.03 133.61 0.04 OUTLIER 'General case' 0 C--O 1.225 -0.192 0 O-C-N 123.84 0.712 . . . . 0.0 109.982 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -132.2 74.51 76.16 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -76.46 149.04 30.47 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.41 HG21 ' H ' ' A' ' 47' ' ' GLU . 9.6 t -58.44 142.97 47.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.158 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -58.84 -26.7 64.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.43 -42.93 74.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.561 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.41 ' H ' HG21 ' A' ' 44' ' ' THR . 95.8 mt-10 -69.82 -28.7 65.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.545 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt -74.94 -50.29 17.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.027 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -64.33 -37.3 87.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.258 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -65.0 -45.63 84.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 41.9 ttm -57.84 -48.8 78.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.954 0.407 . . . . 0.0 110.283 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.54 -42.63 90.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 t -64.57 -43.57 93.46 Favored 'General case' 0 C--N 1.316 -0.871 0 O-C-N 124.016 0.823 . . . . 0.0 111.074 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -58.5 -41.68 85.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.291 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.16 44.72 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.068 0.461 . . . . 0.0 110.72 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -101.13 107.86 19.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.771 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.07 -14.75 43.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 60' ' ' ASN . 2.9 m-20 -121.43 14.37 11.14 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.53 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.54 26.79 0.01 OUTLIER Glycine 0 C--N 1.343 0.931 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' A' ' 58' ' ' ASP . 19.5 p-10 -82.23 -33.2 29.39 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.795 -178.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.52 9.97 24.26 Favored Glycine 0 N--CA 1.466 0.674 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.524 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 7.1 p -138.53 156.17 47.75 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.915 0.388 . . . . 0.0 110.39 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.7 mt -95.02 123.86 47.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.279 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -86.64 159.92 19.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.916 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -45.82 -51.62 12.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 110.497 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -60.11 -37.3 79.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.881 0.372 . . . . 0.0 110.152 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -71.5 -49.58 39.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.799 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -56.78 -44.45 81.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.145 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.28 -50.85 71.37 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.552 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.4 m -62.38 -43.54 98.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.06 0.457 . . . . 0.0 110.825 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.21 -52.82 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -37.52 81.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.925 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.08 -28.16 37.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.572 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -71.84 -53.0 14.65 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.998 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 76' ' ' VAL . 1.7 tttp -43.85 -82.29 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.6 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.505 ' C ' ' O ' ' A' ' 75' ' ' LYS . 21.7 t -4.89 119.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 O-C-N 124.846 1.341 . . . . 0.0 111.201 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.582 ' O ' ' NZ ' ' B' ' 31' ' ' LYS . 3.3 mmtm 171.8 -117.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.507 0.504 . . . . 0.0 109.654 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.444 ' O ' ' OG1' ' A' ' 79' ' ' THR . 64.5 t0 -173.48 -92.17 0.01 OUTLIER 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 78' ' ' ASP . 3.1 p 63.74 -57.5 0.2 Allowed 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.256 0.348 . . . . 0.0 110.997 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.444 ' N ' ' OG1' ' A' ' 79' ' ' THR . 94.5 m-20 -90.0 108.72 19.89 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.31 0.576 . . . . 0.0 110.664 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.07 -55.61 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.224 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 80.2 mm-40 -55.19 -22.86 19.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -77.12 -60.44 2.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -66.94 -35.11 79.24 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.684 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp -65.89 -40.64 91.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.082 0.468 . . . . 0.0 110.968 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 69.0 mmtt -82.6 -47.34 12.21 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.052 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -57.8 -42.41 84.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.091 0.472 . . . . 0.0 109.814 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.75 -55.02 38.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.707 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -62.64 -27.91 69.54 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.411 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.456 ' HA ' HE22 ' A' ' 96' ' ' GLN . 87.4 tttt -65.11 -41.7 94.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.8 t -76.31 -44.86 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.013 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.4 -48.87 79.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.141 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.579 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 39.2 t0 -85.5 60.49 6.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.732 -0.387 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -41.33 -56.96 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.444 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.475 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -66.96 -6.56 17.26 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.802 -179.301 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' A' ' 93' ' ' ASP . 99.6 mm-40 43.96 48.62 7.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.685 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -87.78 -3.46 58.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.357 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.97 -0.75 60.72 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 13.3 m-85 -144.19 149.06 35.82 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 120.669 0.271 . . . . 0.0 110.601 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.0 mt -95.41 111.36 25.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.69 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.7 m -84.53 147.96 26.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.74 45.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.369 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.3 t -58.61 -41.67 86.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.387 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.475 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 51.4 mt-10 -65.05 -51.65 60.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.422 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.7 tp -66.78 -27.16 67.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.379 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.522 ' NH2' ' OD1' ' A' ' 118' ' ' ASP . 72.9 ttt180 -80.44 -42.17 23.14 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -57.86 -50.0 74.77 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.922 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 109' ' ' MET . 47.2 t -62.67 -63.06 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.716 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' VAL . 5.4 tpt -32.85 -72.85 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.038 0.447 . . . . 0.0 111.38 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.56 ' C ' ' H ' ' A' ' 112' ' ' LEU . 19.6 tt -52.42 -45.6 45.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.921 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.467 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 47.7 t30 -50.33 -8.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.719 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.56 ' H ' ' C ' ' A' ' 110' ' ' ILE . 70.2 mt -105.65 -157.46 0.61 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.208 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -97.64 52.42 1.32 Allowed Glycine 0 CA--C 1.52 0.37 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.401 ' OE1' ' CE ' ' A' ' 109' ' ' MET . 39.5 tt0 -159.08 111.5 2.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -106.69 109.46 21.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.847 0.356 . . . . 0.0 111.356 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.08 140.85 48.72 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.649 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.446 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 68.6 p -63.06 170.82 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.029 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.522 ' OD1' ' NH2' ' A' ' 106' ' ' ARG . 99.1 m-20 -67.68 -23.74 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.3 mp0 -70.47 -45.08 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.755 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 6.9 mp0 -70.2 -43.77 70.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.433 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.39 -46.9 95.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.194 0.521 . . . . 0.0 110.144 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -65.53 -31.12 72.01 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.096 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -61.82 -55.18 32.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.429 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.608 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 11.6 ttp -56.1 -43.43 78.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.342 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.9 mm -58.32 -38.27 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.129 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -81.5 -27.37 34.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.987 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -85.47 -65.93 0.96 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.931 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -46.52 -37.3 7.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.527 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.486 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 51.1 t0 -76.44 122.11 24.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.005 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 130' ' ' LEU . 3.8 mm? -66.2 -48.52 70.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.665 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 11.9 p-10 -97.59 -2.35 41.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.486 ' O ' ' OD2' ' A' ' 129' ' ' ASP . . . 61.81 -117.39 11.38 Favored Glycine 0 C--O 1.223 -0.54 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 2.5 m-20 80.78 -19.16 0.45 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.785 0.326 . . . . 0.0 110.437 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.53 7.57 53.71 Favored Glycine 0 N--CA 1.464 0.533 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.48 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 13.2 mt-30 -147.83 149.21 31.89 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.999 0.428 . . . . 0.0 110.43 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.9 t -116.85 126.07 74.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.15 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.929 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.555 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 17.0 t-20 -87.49 154.63 20.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.656 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -47.08 -43.77 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.258 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -59.99 -49.38 77.9 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.442 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.454 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 92.4 mt-10 -61.72 -39.68 92.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.942 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -61.37 -48.4 81.42 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.96 -46.89 91.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.081 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -61.08 -32.07 71.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.0 tpt -71.24 -35.03 71.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 110.929 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.0 mmm -75.42 -24.36 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.149 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.6 mtp -47.76 164.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.071 0.462 . . . . 0.0 110.789 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 149' ' ' ARG . 0.2 OUTLIER -41.77 -35.06 0.72 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.53 -179.326 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 26.2 t 58.77 -73.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.186 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 147' ' ' THR . 80.0 mtp180 . . . . . 0 C--N 1.318 -0.761 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.502 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.412 ' H3 ' ' H ' ' B' ' 20' ' ' ARG . . . . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.463 ' NH1' ' NH2' ' B' ' 24' ' ' ARG . 47.2 ptt85 -60.67 -39.14 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.478 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.414 ' O ' ' OG ' ' B' ' 25' ' ' SER . 75.5 mt-30 -65.24 -38.56 90.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.345 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -59.8 -44.57 93.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.099 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.608 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 3.4 m95 -59.96 -50.07 75.2 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.226 0.536 . . . . 0.0 110.019 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.463 ' NH2' ' NH1' ' B' ' 20' ' ' ARG . 87.9 mtm180 -65.8 -36.28 83.06 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.929 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 60.9 m -60.45 -45.09 94.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.145 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.502 ' HG ' ' H ' ' B' ' 27' ' ' VAL . 85.9 p -59.31 -44.84 92.51 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.088 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.502 ' H ' ' HG ' ' B' ' 26' ' ' SER . 97.4 t -68.43 -42.33 83.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.086 0.469 . . . . 0.0 110.327 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 37.9 t -62.53 -42.64 99.66 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.824 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.81 -41.76 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.26 -42.19 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.582 ' NZ ' ' O ' ' A' ' 77' ' ' LYS . 18.8 ttmt -59.24 -43.46 92.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.517 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -65.23 -41.17 94.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.331 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.598 ' O ' ' N ' ' B' ' 35' ' ' ARG . 58.2 ttp180 -68.14 -46.42 70.86 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.561 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 55.79 -73.91 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 123.394 0.434 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.598 ' N ' ' O ' ' B' ' 33' ' ' ARG . 64.9 ttt180 69.39 -37.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.567 0.542 . . . . 0.0 110.222 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.561 ' H ' ' C ' ' B' ' 34' ' ' ALA . 71.1 ttt180 -92.99 -10.64 35.58 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.163 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.516 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.5 m-85 70.44 64.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.146 0.498 . . . . 0.0 110.155 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.417 ' CB ' ' NZ ' ' A' ' 75' ' ' LYS . 76.4 mtp85 -51.38 -41.72 60.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.025 0.44 . . . . 0.0 110.351 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' MET . . . . . 0.497 ' SD ' ' C ' ' B' ' 39' ' ' MET . 0.4 OUTLIER -63.77 -65.04 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 -179.327 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.03 -43.27 98.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.717 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 96.2 p -54.91 -42.41 72.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.18 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -65.23 -40.98 94.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.401 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.412 -179.924 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.1 t0 70.01 -53.03 0.63 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.633 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 tt -137.31 135.79 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.387 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.4 mt -128.2 168.4 15.49 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.63 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.431 ' HG ' ' H ' ' A' ' 7' ' ' GLU . 45.8 t -71.55 138.04 48.53 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.759 -179.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -58.22 -22.11 50.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.509 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.431 ' H ' ' HG ' ' A' ' 5' ' ' SER . 95.5 mt-10 -56.6 -58.48 7.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.231 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.48 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -47.15 -41.8 18.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -179.812 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.48 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 4.8 mm -66.07 -42.56 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.229 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.8 t -59.02 -48.25 87.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.978 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -57.9 -53.73 54.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.123 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -60.38 -42.89 96.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.194 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -64.99 -37.13 86.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.652 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -58.54 -51.45 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.191 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.34 89.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.293 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -60.13 -49.79 76.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.39 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.92 -32.44 75.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 tt -64.64 -51.93 60.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.536 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CE2' ' CD1' ' B' ' 37' ' ' PHE . 0.9 OUTLIER -52.02 -25.91 9.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 -179.36 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 35.2 t0 -109.71 89.91 3.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.418 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -63.39 -29.24 70.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.13 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.585 ' O ' ' C ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -97.91 31.98 2.51 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 -179.617 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.585 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.46 66.56 0.01 OUTLIER Glycine 0 N--CA 1.469 0.835 0 O-C-N 123.584 0.553 . . . . 0.0 111.778 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 22' ' ' ASP . 74.6 m-20 -88.61 -24.52 22.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.73 9.03 23.67 Favored Glycine 0 N--CA 1.465 0.616 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 26' ' ' CYS . 23.4 p -169.58 124.8 0.83 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.789 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.8 mt -76.25 131.29 35.16 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.5 m -106.48 156.74 18.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.611 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.2 t -51.35 -43.56 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.217 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.46 -59.52 5.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.423 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 82.0 mt-10 -55.38 -42.05 73.48 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.0 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.97 -36.48 83.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.237 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.64 87.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.9 m -58.59 -47.28 84.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.521 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.6 t -62.44 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.723 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.8 mt -61.54 -44.43 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.738 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -63.68 -32.6 74.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.085 0.469 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 p -54.43 -17.67 3.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.496 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.499 ' C ' ' H ' ' A' ' 41' ' ' GLN . 5.8 mp -89.32 24.05 2.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.545 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 73.25 -16.4 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.514 0.509 . . . . 0.0 110.743 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.499 ' H ' ' C ' ' A' ' 39' ' ' LEU . 99.2 mm-40 -72.07 162.32 29.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.551 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.611 HD21 ' H ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -149.14 67.02 8.91 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.602 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -79.07 165.16 24.24 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.846 2.364 . . . . 0.0 111.932 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.402 HG23 ' H ' ' A' ' 47' ' ' GLU . 5.1 t -87.09 149.14 24.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.474 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.25 -20.7 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.747 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -62.86 -44.36 96.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' H ' HG23 ' A' ' 44' ' ' THR . 96.0 mt-10 -71.07 -26.58 63.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.704 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.5 mt -80.56 -44.77 18.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.086 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.74 -29.15 65.31 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.869 0.366 . . . . 0.0 110.142 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.86 -56.76 6.21 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 52' ' ' ILE . 0.5 OUTLIER -63.16 -33.77 76.18 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.884 0.373 . . . . 0.0 110.857 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 51' ' ' MET . 84.0 mt -74.76 -25.04 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.327 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.551 ' C ' ' H ' ' A' ' 55' ' ' VAL . 46.0 t -89.06 -30.31 18.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.54 -0.89 0.19 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.483 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.551 ' H ' ' C ' ' A' ' 53' ' ' SER . 2.0 t -139.8 -52.01 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 66.7 t0 -48.89 87.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.614 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -42.49 -73.63 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.82 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.488 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.8 p30 -60.05 4.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.614 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 27.65 64.32 0.09 OUTLIER Glycine 0 C--N 1.341 0.828 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' OD1' ' O ' ' A' ' 62' ' ' THR . 48.0 p30 -102.16 27.78 6.38 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.758 0.314 . . . . 0.0 110.366 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 45.79 16.54 0.13 Allowed Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.475 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 52.8 p -137.75 134.11 34.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.771 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.5 mt -104.31 129.31 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.346 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -93.41 158.74 15.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.566 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -44.52 -49.45 10.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.444 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.9 -37.16 81.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.263 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -73.54 -44.96 56.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.593 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -58.77 -43.71 90.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.231 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.84 -45.57 93.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.017 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 p -67.72 -42.41 81.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.787 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.08 -43.2 96.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.0 tpt -63.79 -48.85 75.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.557 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -65.47 -42.27 92.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.563 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -65.73 12.39 0.06 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.557 ' H ' ' C ' ' A' ' 73' ' ' ALA . 2.9 ttmp? -159.03 48.35 0.33 Allowed 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 119.302 -0.38 . . . . 0.0 110.263 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 77' ' ' LYS . 1.0 OUTLIER 164.74 145.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.049 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 152.63 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.343 0.308 0 O-C-N 124.459 1.1 . . . . 0.0 109.373 178.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.496 ' O ' ' OG1' ' A' ' 79' ' ' THR . 72.6 m-20 -152.67 -70.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.816 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 78' ' ' ASP . 7.4 p 62.61 -139.74 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.437 0.461 . . . . 0.0 111.424 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.66 155.81 35.4 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.818 0.818 . . . . 0.0 110.984 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.78 -52.26 9.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.808 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.92 -21.82 63.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.712 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -77.09 -52.67 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -73.69 -34.07 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.639 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.3 -32.61 70.45 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.616 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -84.42 -45.24 12.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.594 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.458 ' OE1' ' NH2' ' B' ' 38' ' ' ARG . 73.1 mm-40 -60.32 -42.01 94.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.181 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.95 -54.65 38.8 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 56.1 t80 -58.2 -33.2 69.03 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.168 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.546 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 62.5 tttp -63.09 -37.98 89.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.48 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -75.34 -54.45 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 0.0 110.694 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -51.59 -45.86 63.32 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.703 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.564 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 12.3 m-20 -84.24 60.66 6.08 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -40.95 -58.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.392 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 9.5 p30 -69.0 -3.73 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.144 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.564 ' NE2' ' O ' ' A' ' 93' ' ' ASP . 98.5 mm-40 46.07 48.97 12.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.71 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.51 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 30.6 p30 -86.3 -4.37 59.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.496 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 99' ' ' TYR . . . 94.71 -3.05 67.6 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 4.8 m-85 -141.66 147.49 37.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.558 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 mt -93.27 113.88 28.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.272 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -92.35 153.03 19.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.403 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.35 -43.12 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.397 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.8 t -59.54 -42.42 92.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.285 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 65.9 mt-10 -66.22 -54.14 28.69 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.119 0.485 . . . . 0.0 110.583 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.6 tp -61.67 -25.34 67.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.428 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -78.95 -47.92 15.48 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.37 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -51.62 -53.74 35.28 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.689 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 109' ' ' MET . 38.7 t -60.51 -66.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.379 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.491 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.4 tpt -29.77 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.863 0.363 . . . . 0.0 111.251 -178.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.564 ' C ' ' H ' ' A' ' 112' ' ' LEU . 9.5 tp -49.26 -45.96 18.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.015 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.458 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 64.3 t30 -50.5 -8.47 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.617 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.564 ' H ' ' C ' ' A' ' 110' ' ' ILE . 72.9 mt -93.52 -112.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.622 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -155.05 48.89 0.49 Allowed Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -135.8 126.17 26.65 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.798 0.333 . . . . 0.0 110.531 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -89.6 98.74 11.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.367 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 55.9 mt -126.07 137.22 53.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.726 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.8 p -81.51 171.91 14.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.473 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 42.2 p-10 -62.65 -25.69 68.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.416 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.5 mt-10 -69.69 -42.41 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.078 0.465 . . . . 0.0 110.665 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.99 -42.48 66.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.744 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.34 -51.73 55.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.029 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.81 -29.95 70.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.122 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -66.11 -53.81 33.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.517 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.514 ' SD ' ' NE1' ' B' ' 23' ' ' TRP . 1.7 tmm? -52.31 -57.66 9.08 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 120.893 0.377 . . . . 0.0 111.088 -178.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.432 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 11.2 tt -52.52 -40.35 32.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.558 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -64.41 -39.23 93.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.646 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.86 -45.91 66.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.468 ' HB3' ' HE1' ' B' ' 23' ' ' TRP . . . -58.57 -36.42 73.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.271 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 43.8 m-20 -67.84 105.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.03 0.443 . . . . 0.0 110.19 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.2 mt -76.97 -39.87 48.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.188 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.433 ' OD1' ' OD2' ' A' ' 133' ' ' ASP . 16.1 p30 -93.47 -1.57 55.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.052 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.422 ' O ' ' OD1' ' A' ' 133' ' ' ASP . . . 56.04 104.73 0.01 OUTLIER Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.433 ' OD2' ' OD1' ' A' ' 131' ' ' ASP . 31.6 m-20 -148.4 12.4 0.92 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.756 0.313 . . . . 0.0 110.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.02 -5.32 13.7 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.409 ' H ' ' C ' ' A' ' 133' ' ' ASP . 3.0 pt20 -153.39 132.99 12.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.137 0.494 . . . . 0.0 110.536 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.9 t -80.07 126.91 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.521 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -90.58 159.69 16.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.6 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -51.14 -40.24 58.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.379 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -62.78 -50.64 70.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.892 0.377 . . . . 0.0 110.549 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.55 -37.73 87.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.171 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.542 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 64.4 t80 -60.57 -46.72 89.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.288 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.86 -45.63 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.162 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -63.57 -34.98 79.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.938 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -66.53 -30.35 70.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.542 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 23.5 mtp -90.66 -18.86 24.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.474 -178.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 39.3 mtt -82.88 -92.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.491 ' C ' ' H ' ' A' ' 149' ' ' ARG . 9.2 m -78.98 -17.73 54.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.757 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 13.6 t 66.92 -5.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 O-C-N 123.375 0.422 . . . . 0.0 110.993 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.491 ' H ' ' C ' ' A' ' 147' ' ' THR . 84.2 mtt85 . . . . . 0 C--N 1.321 -0.637 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.623 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.588 ' HE ' ' NH2' ' B' ' 24' ' ' ARG . 41.8 ttp-105 -60.76 -47.09 87.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' B' ' 25' ' ' SER . 86.3 mt-30 -71.32 -37.37 71.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -45.61 92.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.654 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.514 ' NE1' ' SD ' ' A' ' 124' ' ' MET . 2.7 m95 -65.06 -47.17 78.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.113 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.588 ' NH2' ' HE ' ' B' ' 20' ' ' ARG . 88.6 mtm180 -65.66 -34.84 79.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.92 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.407 ' N ' ' O ' ' B' ' 21' ' ' GLN . 40.9 t -60.74 -46.82 88.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.2 t -61.58 -41.25 97.15 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.345 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t -66.19 -46.0 88.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.757 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.0 m -69.39 -43.12 74.15 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.007 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.59 -42.4 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.0 -43.16 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.185 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -62.96 -45.39 92.67 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.567 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -65.94 -36.83 84.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.217 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' B' ' 34' ' ' ALA . 59.0 ttm-85 -60.96 -54.88 39.55 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.009 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.555 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 25.72 50.34 0.02 OUTLIER 'General case' 0 C--N 1.343 0.291 0 O-C-N 123.628 0.58 . . . . 0.0 111.146 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -58.56 -2.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.039 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.555 ' H ' ' C ' ' B' ' 34' ' ' ALA . 33.6 mmt180 -111.21 0.87 16.92 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.6 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER 54.01 58.06 5.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.364 179.176 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.458 ' NH2' ' OE1' ' A' ' 87' ' ' GLU . 53.9 mtp85 -55.47 -31.02 61.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.421 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 33.0 mmm -69.69 -63.14 1.13 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.988 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.33 -42.94 97.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.245 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 16.9 t -57.16 -46.07 83.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.113 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -67.61 -39.86 84.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.504 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 tp . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.48 -179.606 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -117.88 -87.77 0.62 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.117 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.418 HG22 HD13 ' A' ' 3' ' ' ILE . 34.4 mm -59.03 -44.86 92.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.264 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.488 ' CD1' ' H ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -48.88 165.79 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.566 179.679 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 t -158.36 155.15 28.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -46.97 -35.24 6.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.14 -44.53 83.9 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -56.03 -53.8 52.58 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.5 mm -58.69 -44.54 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.0 t -54.84 -48.29 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.742 -0.383 . . . . 0.0 109.99 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -53.51 -50.62 65.02 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -64.66 -42.77 95.17 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.384 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -55.12 -38.49 68.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.794 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -65.43 -48.17 73.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.013 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.81 74.3 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.092 0.473 . . . . 0.0 110.213 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -58.22 -47.88 82.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.313 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.21 -39.95 51.51 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mt -63.93 -41.2 97.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.861 0.363 . . . . 0.0 110.679 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.502 ' CZ ' ' CD1' ' B' ' 37' ' ' PHE . 16.7 m-85 -63.97 -42.59 97.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.209 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' A' ' 24' ' ' ASP . 46.4 t0 -100.66 76.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.768 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -52.87 -28.38 22.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.052 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.603 ' O ' ' C ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -97.67 38.17 1.31 Allowed 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.593 -179.66 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.603 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.74 67.98 0.01 OUTLIER Glycine 0 CA--C 1.525 0.677 0 O-C-N 123.399 0.437 . . . . 0.0 112.198 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -95.21 -25.94 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.414 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 104.67 13.64 25.4 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.561 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 18.7 m -161.72 165.0 28.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 110.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -116.06 118.02 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.833 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -97.42 151.96 19.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.5 t -49.99 -45.83 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.256 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -61.0 -54.73 41.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.01 -43.8 78.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.619 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.88 -37.05 80.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.421 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.5 91.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.198 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.3 m -58.54 -45.99 87.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.962 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.45 -44.53 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.349 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.02 -42.47 95.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.198 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -59.89 -34.16 72.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.232 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -57.77 -27.25 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.817 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 mp -78.6 11.49 2.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 69.83 40.96 1.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.786 0.679 . . . . 0.0 110.789 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -165.01 128.63 2.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -126.7 84.07 63.67 Favored Pre-proline 0 C--N 1.333 -0.152 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.737 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -56.6 168.14 2.42 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.905 2.403 . . . . 0.0 111.87 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.1 t -66.0 141.95 58.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.69 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.62 -39.27 61.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.351 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.496 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 2.2 tm-20 -48.69 -43.87 37.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.445 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.503 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.3 tm-20 -62.19 -33.28 74.24 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.206 0.527 . . . . 0.0 110.487 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 4.1 mm? -78.84 -35.07 44.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.083 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -62.1 -48.19 81.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.86 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 54' ' ' GLU . 13.8 p-10 -67.05 -45.87 76.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.436 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.4 ttm -46.85 -54.75 9.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.709 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.53 -41.12 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.271 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.1 t -72.09 -18.91 61.88 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.715 0.634 . . . . 0.0 110.7 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 50' ' ' ASP . 82.2 tt0 -78.72 -8.35 58.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.127 0.489 . . . . 0.0 110.429 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 t -146.45 40.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 14.1 t0 -105.81 103.3 12.77 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.42 -8.2 53.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.258 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 48.7 p30 -127.2 10.27 6.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.737 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 42.43 47.99 5.73 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.62 ' ND2' ' HG1' ' A' ' 62' ' ' THR . 52.5 p-10 -106.53 15.41 25.9 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.652 0.263 . . . . 0.0 110.582 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 47.15 15.78 0.22 Allowed Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.62 ' HG1' ' ND2' ' A' ' 60' ' ' ASN . 77.2 p -139.02 145.65 39.89 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.964 0.412 . . . . 0.0 110.864 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.2 mt -96.94 125.47 49.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 120.957 0.408 . . . . 0.0 110.278 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -82.78 162.73 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -51.27 -48.09 62.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.389 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.07 -38.4 86.08 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.167 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -70.6 -52.56 20.66 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -53.85 -42.92 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.56 -58.63 7.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.371 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.4 t -64.92 -43.65 92.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.44 ' C ' ' CD2' ' A' ' 71' ' ' LEU . 6.6 tt -52.52 -58.83 5.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.5 tpt -67.72 -45.04 76.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.809 0.338 . . . . 0.0 111.319 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.63 -25.8 63.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.882 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' VAL . 25.5 mmtp -94.53 -59.73 1.87 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.749 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -55.21 77.88 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.829 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 74' ' ' LYS . 59.3 t -134.22 162.45 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.514 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 28.5 ttpt 158.62 -62.75 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.16 0 O-C-N 123.466 0.479 . . . . 0.0 110.52 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 71.78 -59.36 0.55 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.672 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.462 ' O ' ' CG2' ' A' ' 79' ' ' THR . 95.9 m 57.18 51.82 9.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.928 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -161.45 120.89 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.84 -52.34 9.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.043 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -58.7 -25.25 62.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.611 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -79.46 -53.04 7.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.308 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.52 -35.98 75.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.006 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 98.1 mt -73.66 -29.24 62.2 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.361 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -84.68 -50.99 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.361 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.45 ' CD ' ' N ' ' A' ' 88' ' ' ALA . 1.8 pp20? -59.01 -40.69 85.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.912 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.45 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -62.14 -55.31 30.06 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -58.7 -37.07 75.3 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.05 0.453 . . . . 0.0 110.144 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.464 ' NZ ' ' NE2' ' A' ' 96' ' ' GLN . 1.4 mmmp? -58.14 -37.99 75.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.6 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.2 t -73.58 -49.68 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.234 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 3.0 m-30 -58.04 -47.15 83.97 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.909 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 96' ' ' GLN . 39.0 t0 -88.79 59.47 5.09 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -39.3 -59.72 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.061 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 53.8 p30 -64.06 -7.71 9.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.234 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 93' ' ' ASP . 76.3 mt-30 45.97 58.9 4.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.336 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.426 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 26.8 p-10 -100.16 -5.7 27.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.369 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.485 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.88 0.81 48.85 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 24.4 m-85 -145.34 149.87 35.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.878 0.37 . . . . 0.0 110.631 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 mt -95.79 115.25 34.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.04 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.6 t -81.86 145.68 30.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.448 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.35 -44.24 65.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.546 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.7 m -59.32 -46.4 88.7 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.95 -46.12 90.43 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.073 0.464 . . . . 0.0 110.304 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.3 tp -70.75 -23.98 62.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.315 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -63.57 -45.48 90.27 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.272 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.685 ' CE1' HD22 ' A' ' 111' ' ' ASN . 2.0 t60 -69.66 -58.11 4.33 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.825 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.8 t -46.19 -16.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.317 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.486 ' H ' ' C ' ' A' ' 107' ' ' HIS . 6.9 tpt -91.45 -76.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.534 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.4 tt -51.26 -32.16 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.271 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.685 HD22 ' CE1' ' A' ' 107' ' ' HIS . 10.3 m120 -52.88 -14.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.668 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.9 mt -96.21 8.2 44.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.621 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.61 36.5 26.01 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -121.63 128.44 51.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.287 0.565 . . . . 0.0 110.62 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -102.62 92.34 4.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.038 0.446 . . . . 0.0 110.254 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.42 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 4.4 mm? -108.17 128.36 54.64 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.9 p -53.47 151.21 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.304 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 42.3 p-10 -59.12 -30.19 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.443 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.462 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.2 mt-10 -64.92 -47.74 76.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.456 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -62.08 -46.98 86.69 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.239 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.6 t -63.43 -45.43 97.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.082 0.468 . . . . 0.0 110.319 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.403 ' CG ' ' HZ2' ' A' ' 126' ' ' LYS . 44.3 tt0 -59.69 -36.68 76.97 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.395 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 127' ' ' GLU . 71.2 mt-30 -61.94 -53.18 59.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.331 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.7 ttp -50.4 -40.22 49.29 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.545 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.438 HG22 HD13 ' A' ' 125' ' ' ILE . 30.8 mm -64.08 -45.85 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.403 ' HZ2' ' CG ' ' A' ' 122' ' ' GLU . 59.1 mttp -76.74 -24.98 53.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 123' ' ' GLN . 94.8 mt-10 -82.71 -57.36 3.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.774 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -46.35 -44.25 16.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.299 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 20.6 t0 -88.91 120.02 29.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.254 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 10.5 mp -57.96 -43.68 86.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.435 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 1.1 p-10 -80.65 -14.67 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.718 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.593 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 65.37 -101.99 0.62 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 0.0 OUTLIER 69.78 -23.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.776 0.322 . . . . 0.0 110.612 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.593 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 104.93 11.74 29.44 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -147.65 153.11 38.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.889 0.376 . . . . 0.0 110.545 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.5 t -113.88 121.04 65.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.103 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.805 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -84.84 155.82 21.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -50.73 -44.58 58.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.135 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.73 -39.42 94.26 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.238 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.431 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 94.8 mt-10 -67.08 -37.28 83.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.121 0.486 . . . . 0.0 110.489 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.591 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 53.2 t80 -70.21 -47.63 60.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.4 t -55.66 -56.04 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.034 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 144' ' ' MET . 36.7 pttt -60.8 -37.58 82.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.069 0.461 . . . . 0.0 110.545 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 144' ' ' MET . 1.8 tmt? -71.18 -35.07 71.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.289 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.591 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 4.7 tpt -67.98 -27.4 66.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.896 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.446 ' O ' ' O ' ' A' ' 145' ' ' MET . 17.6 mmt -44.01 170.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.643 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 32.4 m -64.87 77.9 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.602 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 146' ' ' MET . 72.3 t -60.26 -42.24 89.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.495 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.642 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.557 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -60.4 -43.59 96.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -67.49 -38.5 84.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.346 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -61.04 -44.98 96.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -62.73 -47.64 82.69 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -65.94 -35.17 79.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.951 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 38.3 t -60.97 -44.41 97.38 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.033 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 89.6 p -61.97 -43.68 98.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.324 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.1 t -68.41 -43.66 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.618 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.0 t -66.96 -46.5 74.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.756 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 78.3 mt -61.98 -41.65 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.159 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t -58.76 -40.88 80.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.716 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -60.69 -46.13 91.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.909 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.34 -38.57 78.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.332 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' B' ' 34' ' ' ALA . 72.0 ttt180 -70.38 -46.85 63.23 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 33.37 81.29 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -67.35 -16.07 64.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.908 0.385 . . . . 0.0 110.304 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.453 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 80.0 mtt85 -112.06 -0.47 15.65 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.639 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.502 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 1.3 m-85 64.88 45.6 3.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.742 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' B' ' 37' ' ' PHE . 17.9 ptm180 -37.24 -34.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.879 0.371 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' MET . . . . . 0.433 ' SD ' ' C ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -69.11 -72.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.018 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.65 -29.63 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.264 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -61.72 -45.75 92.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.092 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -65.52 -41.05 93.56 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.43 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.422 -179.604 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 3' ' ' ILE . 92.9 m-20 -81.48 94.0 6.76 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.631 ' CG1' ' H ' ' A' ' 4' ' ' LEU . 1.3 tt 15.58 -119.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 124.035 0.835 . . . . 0.0 111.029 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.631 ' H ' ' CG1' ' A' ' 3' ' ' ILE . 0.8 OUTLIER 175.04 86.71 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 123.333 0.395 . . . . 0.0 110.369 179.146 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m -111.24 160.35 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.266 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -65.6 -22.13 66.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.425 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -53.17 -30.91 39.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.288 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -75.49 -48.74 21.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.041 0.448 . . . . 0.0 110.068 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.7 mm -63.67 -38.55 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.153 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.1 t -61.89 -48.87 86.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.397 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -53.6 -49.58 67.49 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.05 0.453 . . . . 0.0 110.038 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -64.23 -36.97 85.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.044 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -60.98 -38.26 85.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.248 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -63.98 -48.83 74.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.126 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.53 85.34 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.621 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.53 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 61.5 t80 -52.39 -48.54 65.58 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.05 -31.5 61.71 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -50.27 74.23 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.394 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.23 -33.35 73.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.29 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.53 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 37.2 m-20 -93.0 83.54 4.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -58.18 -43.07 87.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.129 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.561 ' O ' ' C ' ' A' ' 23' ' ' GLY . 51.7 p-10 -92.27 36.08 1.0 Allowed 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.27 63.73 0.01 OUTLIER Glycine 0 N--CA 1.473 1.134 0 O-C-N 124.152 0.908 . . . . 0.0 111.461 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 16.1 p-10 -86.75 -26.52 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.503 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.55 10.46 23.35 Favored Glycine 0 N--CA 1.466 0.655 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.49 ' SG ' ' OD2' ' A' ' 24' ' ' ASP . 20.8 p -167.99 126.67 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.76 0.314 . . . . 0.0 111.01 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 84.5 mt -76.2 130.17 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.01 -170.8 2.04 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 t -81.85 -44.86 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.512 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.68 -44.76 96.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.54 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -62.44 -45.56 92.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.429 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.0 tp -59.6 -40.51 87.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.105 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.29 -39.95 78.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 m -60.82 -48.7 80.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.51 -46.93 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.518 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.93 -43.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -59.13 -34.52 72.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.468 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.5 p -93.59 11.55 28.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.482 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -103.31 14.92 30.46 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.103 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 1.9 m-20 78.69 20.66 0.8 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.443 0.465 . . . . 0.0 110.674 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -145.05 153.18 41.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.233 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.17 79.42 11.75 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.49 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -79.63 160.99 25.02 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.86 2.373 . . . . 0.0 112.231 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 m -62.66 136.39 57.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.34 -49.69 74.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.55 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 1.3 mp0 -43.5 -44.17 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 6.8 mp0 -61.63 -51.1 69.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.846 0.355 . . . . 0.0 110.063 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.3 mt -52.5 -53.54 44.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.37 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -53.41 -45.76 69.5 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.29 -40.35 95.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.482 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 27.6 ttp -63.28 -40.07 96.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.478 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.4 HG21 HD12 ' A' ' 52' ' ' ILE . 31.5 mm -64.6 -45.22 96.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.598 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -79.0 -12.36 60.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -59.15 -44.72 92.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.805 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.7 t -106.77 -46.02 8.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.746 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -48.52 97.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.672 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.598 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -47.0 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.705 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.536 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.1 p30 -60.35 5.54 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.598 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 17.12 59.88 0.01 OUTLIER Glycine 0 C--N 1.346 1.118 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.691 ' ND2' ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -78.02 -10.81 59.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.648 -0.276 . . . . 0.0 110.476 -178.754 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.628 ' N ' HD21 ' A' ' 60' ' ' ASN . . . 101.43 3.65 53.33 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.691 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 12.7 p -140.66 148.97 41.65 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.91 0.386 . . . . 0.0 110.393 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.4 mt -101.47 122.31 53.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.51 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -83.97 161.42 20.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.203 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -52.44 -46.27 66.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.384 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.78 -38.86 83.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.171 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.12 -47.23 52.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.611 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -59.66 -45.98 90.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.258 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.25 -48.03 79.91 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.924 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -63.81 -44.97 91.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.64 -48.14 82.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.576 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.6 tpt -65.35 -42.01 93.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.2 85.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.132 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.29 -61.02 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.35 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -118.15 117.81 30.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.75 ' CG1' ' H ' ' A' ' 77' ' ' LYS . 2.5 p -113.42 -91.35 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.619 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.75 ' H ' ' CG1' ' A' ' 76' ' ' VAL . 65.0 pttt -52.56 179.89 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.172 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -133.63 15.8 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.638 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 75.1 78.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 0.0 110.705 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -160.98 118.65 2.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.18 0.514 . . . . 0.0 110.506 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.5 13.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.995 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -54.04 -18.87 4.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.098 0.475 . . . . 0.0 110.701 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -81.48 -57.77 3.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -68.29 -35.17 77.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.495 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 mt -69.18 -39.72 78.55 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -84.94 -45.06 12.57 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.481 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.05 -41.21 91.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.85 -54.74 37.99 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.553 ' CZ ' ' OD1' ' A' ' 93' ' ' ASP . 59.3 t80 -57.14 -33.48 67.43 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.287 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -61.7 -39.12 90.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.562 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.8 t -73.48 -43.81 54.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.689 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -59.22 -46.72 87.72 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.113 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.553 ' OD1' ' CZ ' ' A' ' 89' ' ' PHE . 5.4 m-20 -93.24 58.41 2.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.034 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -41.31 -58.44 1.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.285 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.44 ' CG ' ' OD1' ' A' ' 97' ' ' ASN . 6.9 p30 -70.13 -2.98 14.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.103 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 93' ' ' ASP . 97.0 mt-30 55.9 67.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.013 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.44 ' OD1' ' CG ' ' A' ' 95' ' ' ASP . 2.6 m120 -102.6 -16.68 16.0 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.654 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 98.01 -2.92 60.09 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.472 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 24.3 m-85 -141.75 146.07 35.56 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mt -91.0 113.75 27.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.284 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 t -90.38 139.36 30.74 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.08 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -41.61 -41.12 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.1 m -59.34 -46.18 89.32 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.753 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.31 -43.01 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.76 -27.75 64.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.131 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 102' ' ' ALA . 67.3 ttt180 -62.4 -45.84 91.3 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.57 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.469 ' C ' ' H ' ' A' ' 109' ' ' MET . 40.1 m80 -69.39 -58.84 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.977 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.3 t -45.13 -18.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.58 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.469 ' H ' ' C ' ' A' ' 107' ' ' HIS . 4.0 tpt -90.29 -76.95 0.41 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.201 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.5 tt -48.31 -37.06 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.741 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -66.54 -26.98 67.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.995 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' A' ' 113' ' ' GLY . 10.8 mp -102.92 76.71 1.5 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.049 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 22.98 55.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 123.784 0.677 . . . . 0.0 111.807 179.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -170.87 101.78 0.23 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -103.63 112.48 25.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.199 0.523 . . . . 0.0 111.21 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.8 mp -109.8 132.12 54.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.286 179.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.434 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 32.6 p -54.2 165.56 0.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.995 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 33.9 p-10 -59.91 -37.19 78.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.4 mt-10 -64.29 -44.29 92.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.588 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -62.92 -43.66 98.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.381 -179.736 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.92 -48.58 87.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.076 0.465 . . . . 0.0 110.435 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.469 ' OE2' ' CB ' ' A' ' 102' ' ' ALA . 80.3 mm-40 -67.69 -34.9 77.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.252 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -64.0 -52.91 57.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.609 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.0 ttp -54.53 -46.9 73.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.405 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.453 HD11 HG22 ' A' ' 125' ' ' ILE . 20.0 mt -62.25 -46.56 96.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.437 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -58.39 -41.57 85.13 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.54 -46.72 58.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.606 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.36 98.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.299 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.555 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 60.2 t0 -68.13 112.75 5.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.273 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 9.4 mp -68.52 -37.11 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 132' ' ' GLY . 1.8 p-10 -90.59 -3.35 57.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.012 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 53.54 118.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.555 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 52.3 p30 -172.44 18.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.58 -0.365 . . . . 0.0 110.598 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.48 19.3 62.21 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.406 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 5.1 mt-30 -152.17 160.94 43.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.544 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.5 t -127.78 126.62 67.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.999 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -90.14 160.31 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.459 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -52.87 -39.47 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.364 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -61.73 -55.37 31.02 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.812 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.438 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 82.2 mt-10 -58.1 -38.32 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.914 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -61.24 -48.07 83.15 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.414 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 34.1 t -58.37 -49.98 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.438 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -64.81 -35.64 81.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.816 0.341 . . . . 0.0 111.296 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -66.55 -28.27 68.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.012 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.4 ttm -91.91 -19.25 22.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.5 mmm -69.39 -123.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.943 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.5 m -66.67 -46.49 75.5 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.729 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.6 t 71.58 -126.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.144 0 O-C-N 123.331 0.394 . . . . 0.0 110.397 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.492 179.842 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -64.29 -37.29 86.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.431 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -66.91 -40.97 87.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.468 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -64.29 -39.77 94.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.201 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.44 -48.23 80.59 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -65.61 -35.98 82.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.779 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.1 t -59.9 -44.67 94.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.148 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 20.1 m -60.6 -44.51 96.17 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.228 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.34 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.156 0.503 . . . . 0.0 110.353 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -63.52 -50.26 70.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.257 0.551 . . . . 0.0 111.088 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 64.1 mt -64.88 -25.45 37.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.114 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 25.1 t -68.09 -43.92 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' B' ' 32' ' ' ASN . 28.1 pttt -60.43 -41.62 94.36 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.421 -0.512 . . . . 0.0 109.922 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . 0.442 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 26.0 t-20 -68.25 -37.51 80.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.857 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.562 HH21 ' NH2' ' B' ' 35' ' ' ARG . 52.5 ttt180 -79.65 -3.84 49.02 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.851 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.531 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . -22.77 97.84 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.947 0.403 . . . . 0.0 111.23 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.562 ' NH2' HH21 ' B' ' 33' ' ' ARG . 38.6 ttm180 -83.3 -10.73 58.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.201 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.422 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 6.8 mmp_? -96.41 -1.47 47.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.755 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' B' ' 39' ' ' MET . 0.6 OUTLIER 60.87 43.14 12.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.412 179.513 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -40.94 -27.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.75 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' MET . . . . . 0.468 ' SD ' ' C ' ' B' ' 39' ' ' MET . 0.9 OUTLIER -71.16 -70.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.495 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.37 -43.03 98.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.423 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.9 p -53.99 -47.92 70.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.085 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.455 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 59.2 t30 -78.68 -39.82 35.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.683 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.455 ' OXT' ' O ' ' B' ' 42' ' ' ASN . 6.3 tt . . . . . 0 C--O 1.222 -0.363 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.8 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 54.25 49.32 18.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.733 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 tt -120.63 23.86 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.302 0.572 . . . . 0.0 110.707 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.5 mt -124.13 98.92 5.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 t -151.36 145.85 25.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.642 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -54.35 -22.83 13.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.588 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.74 -27.97 65.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.031 0.443 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -78.27 -53.88 6.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.055 0.455 . . . . 0.0 110.02 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 mm -61.88 -40.03 85.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.657 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.34 -49.44 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.124 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -54.72 -53.79 50.34 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.613 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -63.23 -42.01 99.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.537 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -59.08 -39.9 83.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.299 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -56.23 -51.49 67.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.3 -47.48 75.52 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.315 0.578 . . . . 0.0 110.205 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -60.38 -46.87 88.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.331 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.13 -39.88 58.48 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.89 -46.12 89.32 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.296 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.7 -40.15 96.24 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.549 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -84.88 71.28 10.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.078 0.466 . . . . 0.0 110.644 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -58.92 -41.23 86.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.524 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' C ' ' A' ' 23' ' ' GLY . 50.3 p-10 -91.89 33.79 1.03 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.65 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 17.74 57.53 0.01 OUTLIER Glycine 0 C--N 1.349 1.254 0 O-C-N 123.768 0.667 . . . . 0.0 112.083 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.0 p-10 -86.93 -25.76 24.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.274 0.559 . . . . 0.0 110.818 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 113.2 -26.54 10.31 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.427 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 12.8 m -128.83 175.84 8.31 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 117.283 0.542 . . . . 0.0 110.163 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.406 HD12 HG22 ' A' ' 27' ' ' ILE . 80.1 mt -119.84 126.48 75.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 m -102.69 152.75 20.85 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.918 0.39 . . . . 0.0 110.913 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.0 t -47.49 -43.99 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.046 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.93 -51.11 70.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.91 -43.74 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.02 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -40.32 94.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.036 179.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.98 90.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.735 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 m -60.99 -51.65 68.36 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.956 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -62.26 -46.8 95.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.437 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.64 -43.03 96.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.465 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -55.88 -38.19 69.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.113 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -91.64 22.02 4.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.46 3.19 6.24 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.673 0.273 . . . . 0.0 110.749 179.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.451 ' CG ' ' H ' ' A' ' 41' ' ' GLN . 0.6 OUTLIER 179.28 -80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.287 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.451 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 56.4 tt0 -154.88 -88.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.764 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 43' ' ' PRO . 20.0 t30 179.44 87.75 0.18 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.503 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.485 ' O ' ' O ' ' A' ' 42' ' ' ASN . 51.0 Cg_exo -52.92 -151.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.732 2.288 . . . . 0.0 111.851 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.4 m -109.08 137.31 47.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.045 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 1.3 pm0 -59.4 -40.62 87.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.576 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -60.14 -40.36 89.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.412 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.72 -32.75 74.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.501 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.56 -55.63 5.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.71 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -53.3 -37.98 62.74 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' GLU . 27.3 t70 -65.21 -47.1 78.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.3 ttm -58.59 -46.01 87.87 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.945 0.402 . . . . 0.0 110.605 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.2 mm -64.9 -40.24 88.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.8 p -79.16 -22.73 44.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.607 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' ASP . 45.0 tp10 -57.15 -44.59 83.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.88 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' A' ' 57' ' ' ALA . 95.6 t -104.8 -57.17 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.277 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -43.08 89.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.753 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.57 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -46.74 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.325 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.522 ' O ' ' C ' ' A' ' 59' ' ' GLY . 5.6 p30 -59.9 1.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.066 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 16.86 60.99 0.01 OUTLIER Glycine 0 C--N 1.347 1.175 0 O-C-N 123.999 0.812 . . . . 0.0 111.276 179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.715 ' ND2' ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -75.91 -10.67 59.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.409 . . . . 0.0 110.678 -179.11 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.642 ' N ' HD21 ' A' ' 60' ' ' ASN . . . 103.06 1.89 48.52 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.715 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 58.7 p -139.71 148.31 42.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.5 mt -100.29 124.24 53.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.945 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -84.75 161.01 20.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.175 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -50.93 -48.29 60.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.093 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -60.62 -39.01 86.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.49 -52.35 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.092 0.472 . . . . 0.0 110.542 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -55.28 -40.02 70.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.563 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -60.61 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.605 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.8 m -52.32 -39.58 60.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.292 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -56.79 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.538 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.1 mmt -67.11 -41.68 85.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.061 0.458 . . . . 0.0 111.059 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.52 80.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.343 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -75.18 -57.31 3.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -79.01 122.19 25.87 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.615 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' A' ' 78' ' ' ASP . 47.7 t -153.16 77.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.45 178.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.485 ' HZ3' HD21 ' B' ' 42' ' ' ASN . 33.5 ttmt -27.65 87.76 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.506 0.504 . . . . 0.0 111.39 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 76' ' ' VAL . 34.5 t70 -117.67 15.89 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.057 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.9 p -114.93 59.23 0.7 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.029 0.442 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.614 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 1.4 p-10 -165.64 89.48 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.94 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.32 -58.41 8.11 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.77 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 85' ' ' LEU . 84.2 tt0 -75.1 -66.66 0.73 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.381 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' GLU . 1.9 tm-20 -35.44 -47.43 0.44 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.337 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -67.63 -47.2 70.29 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.333 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' GLU . 46.4 mt -66.72 -14.63 62.77 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.61 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.01 -48.76 11.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.734 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.534 ' CD ' HH21 ' B' ' 38' ' ' ARG . 81.4 tt0 -65.85 -43.1 89.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.58 -0.448 . . . . 0.0 109.916 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.36 -49.57 75.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.611 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.9 -42.27 93.45 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.828 0.347 . . . . 0.0 110.284 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -57.03 -34.31 68.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.262 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.45 -59.11 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.042 0.448 . . . . 0.0 110.614 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -54.7 -44.26 73.26 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.415 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 96' ' ' GLN . 45.6 t0 -87.15 64.09 8.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.497 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -40.71 -56.56 2.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 111.499 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.451 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 3.1 m-20 -63.76 -9.98 17.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.119 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 93' ' ' ASP . 24.9 pt20 42.95 27.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.799 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.694 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -72.96 2.21 7.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.674 -179.238 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.496 ' N ' HD21 ' A' ' 97' ' ' ASN . . . 97.05 -0.13 60.3 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.694 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 3.8 m-85 -138.13 143.45 40.35 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.772 0.32 . . . . 0.0 110.253 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mt -96.22 112.79 29.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -79.21 153.1 30.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.404 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.99 90.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.3 m -59.66 -41.3 90.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.029 0.442 . . . . 0.0 110.775 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.451 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 50.2 mt-10 -64.38 -58.78 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.869 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 47.7 tp -61.09 -23.71 65.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.226 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -77.25 -49.7 14.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -53.78 -51.94 61.81 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.989 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' A' ' 111' ' ' ASN . 47.5 t -59.09 -64.29 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.939 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 108' ' ' VAL . 6.0 tpt -30.2 -68.98 0.07 Allowed 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.383 0.427 . . . . 0.0 110.731 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.4 ' C ' ' H ' ' A' ' 112' ' ' LEU . 18.8 tt -57.07 -34.81 45.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.017 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 108' ' ' VAL . 0.7 OUTLIER -52.66 -13.26 0.37 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.661 0.267 . . . . 0.0 110.737 -179.664 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.4 ' H ' ' C ' ' A' ' 110' ' ' ILE . 3.9 mm? -92.69 -104.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -154.72 68.96 0.29 Allowed Glycine 0 C--N 1.322 -0.234 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.525 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 82.9 tt0 -169.11 127.06 0.98 Allowed 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.523 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.63 119.96 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.035 0.445 . . . . 0.0 110.314 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.96 166.47 10.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.447 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.3 p -136.5 177.42 7.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.322 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 32.3 p-10 -71.85 -33.97 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.654 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.418 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 80.7 mm-40 -73.85 -57.02 4.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.456 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 43.3 tp10 -51.08 -44.86 61.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.391 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.38 -46.16 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.165 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -66.58 -32.4 73.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -61.33 -64.45 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.603 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 1.2 ttp -55.03 -41.7 71.71 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.527 -178.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.8 mm -62.18 -42.0 93.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.717 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -75.16 -29.7 60.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -84.42 -66.05 0.94 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.046 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.425 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -41.59 -32.69 0.38 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 110.295 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.442 ' OD2' ' OD1' ' A' ' 133' ' ' ASP . 63.7 t0 -89.39 114.32 25.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.365 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.82 -45.0 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.307 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 12.5 p30 -86.05 -1.83 57.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.462 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.2 42.26 3.12 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.442 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 27.6 p-10 -71.53 -1.1 12.22 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.549 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.73 -10.4 45.21 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -144.28 168.38 20.21 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.635 0.255 . . . . 0.0 110.408 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.8 t -115.3 126.23 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.702 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -92.14 149.69 21.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.355 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -43.83 -42.15 5.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.193 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.83 -50.14 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.435 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 95.6 mt-10 -61.78 -43.1 99.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.194 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.26 -49.79 76.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.089 0.471 . . . . 0.0 109.999 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 20.0 t -57.6 -47.2 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.837 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -60.65 -31.78 70.98 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.815 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.481 ' SD ' ' O ' ' A' ' 144' ' ' MET . 1.6 tmm? -67.0 -38.15 85.49 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.925 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 tpp -84.66 -17.22 39.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.377 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.467 ' C ' ' OG1' ' A' ' 147' ' ' THR . 2.7 mmt -51.43 -30.13 18.41 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.208 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.536 ' C ' ' H ' ' A' ' 149' ' ' ARG . 0.0 OUTLIER 169.4 -75.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.43 0.634 . . . . 0.0 110.363 179.509 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' A' ' 148' ' ' VAL . 96.1 t 51.1 8.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.521 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.536 ' H ' ' C ' ' A' ' 147' ' ' THR . 17.6 ptm180 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.672 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 ttp85 -60.43 -42.54 96.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.524 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.91 -40.01 95.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.431 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.525 ' NH1' ' OE2' ' A' ' 114' ' ' GLU . 14.3 tpp180 -58.86 -45.08 90.98 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.169 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.603 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 11.5 m95 -62.83 -47.39 83.61 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.208 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -65.42 -36.59 84.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.8 t -60.32 -48.06 83.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.8 p -60.77 -43.14 98.43 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.094 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.19 -43.49 84.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.786 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.2 p -66.64 -41.99 87.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.338 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.13 -41.02 91.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.9 t -59.39 -44.35 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.09 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -64.33 -43.84 93.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.465 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -68.28 -41.46 80.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.588 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.576 ' CZ ' ' NH2' ' B' ' 35' ' ' ARG . 70.1 ttt180 -74.72 -44.74 48.41 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.002 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.561 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 63.0 -66.1 0.09 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.252 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.576 ' NH2' ' CZ ' ' B' ' 33' ' ' ARG . 42.6 ttm-85 70.21 -38.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 123.413 0.446 . . . . 0.0 110.306 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.561 ' H ' ' C ' ' B' ' 34' ' ' ALA . 33.9 ttm180 -106.14 -0.72 24.44 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.607 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.484 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.7 OUTLIER 65.68 62.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.055 0.455 . . . . 0.0 109.845 179.325 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.534 HH21 ' CD ' ' A' ' 87' ' ' GLU . 2.4 mtp85 -56.17 -33.62 65.41 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.163 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' MET . . . . . 0.487 ' N ' ' SD ' ' B' ' 39' ' ' MET . 1.8 mpt? -69.48 -63.14 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.77 -42.21 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.093 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 44.2 t -56.34 -43.25 78.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.298 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.485 HD21 ' HZ3' ' A' ' 77' ' ' LYS . 67.4 m-20 -94.32 -3.27 50.78 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.947 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.543 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.007 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 4' ' ' LEU . 56.2 t0 -148.41 -83.35 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 53.0 mt 43.07 -87.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.238 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.563 ' N ' ' O ' ' A' ' 2' ' ' ASP . 79.1 mt -87.04 175.24 8.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.382 179.883 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 m -70.66 149.13 47.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.376 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 6' ' ' GLU . 54.7 mp0 -54.32 -32.68 57.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.589 -179.692 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 1.3 mp0 -57.02 -35.92 69.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.867 0.365 . . . . 0.0 110.348 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.09 -53.9 13.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.172 0.511 . . . . 0.0 110.411 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.68 -39.07 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.138 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.17 -48.67 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.322 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 7' ' ' GLU . 1.3 m-20 -54.76 -52.76 61.56 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 120.446 -0.502 . . . . 0.0 109.984 -179.308 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -62.61 -40.65 97.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.033 179.311 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -60.72 -42.69 97.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.477 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -55.88 -52.73 63.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.23 -179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.17 75.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.996 0.426 . . . . 0.0 110.44 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.523 ' CE1' ' OD2' ' A' ' 20' ' ' ASP . 3.1 t80 -60.07 -47.28 86.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.233 179.415 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.97 -37.43 58.11 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.094 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.14 -43.36 92.14 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.802 179.596 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.42 -35.65 76.3 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.807 -179.312 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.523 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 96.9 m-20 -93.38 82.88 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.562 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -56.18 -42.08 76.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.926 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 23' ' ' GLY . 53.4 p-10 -91.71 38.73 0.99 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 -179.529 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.54 65.92 0.01 OUTLIER Glycine 0 C--N 1.344 0.987 0 O-C-N 123.927 0.767 . . . . 0.0 111.705 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 50.5 p-10 -91.98 -24.67 19.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.741 0.305 . . . . 0.0 110.489 -179.146 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 115.52 -26.98 8.68 Favored Glycine 0 N--CA 1.466 0.678 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.4 p -125.07 174.49 8.0 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 117.096 0.448 . . . . 0.0 109.915 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.3 mt -114.52 118.62 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.957 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.23 -173.66 3.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.6 t -83.85 -43.54 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.62 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -64.69 -40.03 94.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.591 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 39.0 mt-10 -68.68 -49.98 54.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.356 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.32 -40.09 89.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.74 98.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.259 179.345 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.5 m -57.67 -46.47 84.22 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.416 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.5 t -59.8 -45.62 94.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 40' ' ' ASP . 79.1 mt -63.43 -43.34 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 178.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -51.77 -46.0 63.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.67 -178.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.9 t -75.36 -39.93 58.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.217 0.532 . . . . 0.0 110.61 179.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -4.28 40.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.81 -178.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' ILE . 21.0 m-20 -150.17 -124.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.392 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -127.01 -108.31 0.31 Allowed 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.637 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -144.53 77.34 13.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.711 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.56 165.44 27.14 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.92 2.413 . . . . 0.0 111.794 179.605 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 m -78.0 133.44 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 48' ' ' LEU . 72.6 tt0 -53.35 -46.36 69.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.573 179.701 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -40.89 -42.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 0.0 110.619 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.06 -33.89 76.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.325 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' GLU . 9.3 mp -74.6 -45.0 48.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 179.501 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -31.34 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.91 -54.05 15.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.1 ttp -57.05 -44.73 83.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.606 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.6 mt -67.82 -38.62 80.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.397 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 t -66.27 -38.4 87.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -51.62 -39.49 58.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.576 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ALA . 97.4 t -99.52 -53.28 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.774 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 42.6 t0 -47.33 94.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.334 -179.666 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.602 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -44.97 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.983 -179.667 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 59' ' ' GLY . 21.3 p-10 -61.8 6.7 0.06 Allowed 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.602 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 17.18 60.34 0.01 OUTLIER Glycine 0 C--N 1.346 1.126 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 179.516 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 9.4 p-10 -89.86 -21.84 22.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.746 0.308 . . . . 0.0 110.632 -179.037 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.33 7.86 39.41 Favored Glycine 0 N--CA 1.463 0.438 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.551 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 15.9 p -133.41 123.69 25.8 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.492 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.0 mt -97.77 124.12 50.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -89.55 170.72 10.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.334 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -55.07 -43.73 74.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.336 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.29 -42.54 95.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -72.03 -43.6 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.652 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.55 -44.51 93.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.087 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.12 -45.81 90.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.066 0.46 . . . . 0.0 110.267 -179.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.9 m -59.59 -44.23 93.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.47 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mt -59.83 -47.98 83.52 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.598 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.5 -40.91 76.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.951 0.405 . . . . 0.0 110.952 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.44 -36.33 77.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.6 -179.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -62.21 1.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.669 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.56 ' O ' ' C ' ' A' ' 76' ' ' VAL . 43.3 tptt -45.84 -81.57 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.289 -179.09 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.589 ' O ' ' CB ' ' A' ' 77' ' ' LYS . 95.2 t -9.46 123.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.953 0 O-C-N 124.539 1.15 . . . . 0.0 110.81 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.589 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 45.4 tttp 98.17 106.63 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.674 1.234 . . . . 0.0 110.825 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 27.2 t0 90.9 13.03 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.084 0.865 . . . . 0.0 111.066 178.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.508 ' OG1' ' NH2' ' B' ' 38' ' ' ARG . 22.6 p -66.04 48.04 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.751 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 78' ' ' ASP . 90.4 m-20 61.79 144.63 0.02 OUTLIER 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.557 0.536 . . . . 0.0 111.221 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.11 -54.6 6.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.906 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -53.79 -17.03 2.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.552 -179.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -89.28 -50.75 5.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.728 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.495 ' OE2' ' OG1' ' A' ' 79' ' ' THR . 90.1 mt-10 -67.73 -35.69 79.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.986 0.422 . . . . 0.0 110.13 179.669 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.19 -35.9 58.89 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.548 -179.061 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -84.66 -45.22 12.7 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.869 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -62.78 -46.93 85.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.201 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.44 -52.03 67.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.891 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.31 -41.09 83.71 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.211 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -55.69 -35.89 66.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 -179.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.5 t -73.34 -57.73 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 3.7 m-85 -56.64 -47.56 79.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.021 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.616 ' O ' ' N ' ' A' ' 96' ' ' GLN . 40.0 t0 -86.64 56.54 4.05 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.556 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -38.53 -51.83 1.6 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.832 0.349 . . . . 0.0 110.871 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.455 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.1 m-20 -64.46 -19.68 65.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.553 -179.321 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.616 ' N ' ' O ' ' A' ' 93' ' ' ASP . 88.7 mt-30 60.43 11.13 2.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.448 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.432 ' O ' ' CE2' ' A' ' 99' ' ' TYR . 28.5 p-10 -59.85 -0.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 89.54 4.7 73.01 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.432 ' CE2' ' O ' ' A' ' 97' ' ' ASN . 5.3 m-85 -136.57 141.88 43.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.633 0.254 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.2 mt -97.64 114.19 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.961 0.41 . . . . 0.0 109.926 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.5 t -82.77 149.32 27.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.708 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.06 -42.74 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.48 ' HG ' ' N ' ' A' ' 104' ' ' GLU . 72.3 p -60.0 -40.95 90.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.589 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.48 ' N ' ' HG ' ' A' ' 103' ' ' SER . 90.7 mt-10 -64.51 -57.95 7.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.274 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.9 tp -60.06 -22.41 62.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.373 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 -82.6 -41.48 19.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.968 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -57.31 -53.09 62.02 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.966 -179.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 112' ' ' LEU . 11.2 t -60.67 -64.97 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.979 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 108' ' ' VAL . 1.5 mmt -32.13 -76.87 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.492 0.495 . . . . 0.0 110.976 -179.486 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.517 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 20.9 tt -49.31 -47.49 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.722 -179.105 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.517 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 48.5 t30 -66.42 -8.89 28.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 -179.692 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 108' ' ' VAL . 9.5 tp -89.2 14.56 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.955 -179.395 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.76 67.44 1.57 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -171.66 138.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.321 . . . . 0.0 110.297 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 98.61 8.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.34 . . . . 0.0 110.592 -179.733 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.1 mt -109.4 130.05 55.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.494 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.4 p -70.73 169.74 13.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.251 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 17.2 p-10 -64.09 -31.97 73.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.502 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.44 -49.54 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.476 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 26.8 tp10 -57.91 -44.09 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.262 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.6 t -65.59 -43.71 93.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.389 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -59.49 -26.31 65.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.308 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.416 ' O ' ' OE1' ' A' ' 127' ' ' GLU . 71.3 mt-30 -76.82 -65.05 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.495 179.231 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.0 ttt -39.73 -51.65 2.33 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.915 0.388 . . . . 0.0 111.009 -179.247 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 126' ' ' LYS . 9.7 tp -63.25 -44.97 99.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.61 -179.751 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.455 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 64.2 tttp -65.91 -32.36 73.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.766 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 123' ' ' GLN . 2.1 mp0 -74.46 -55.86 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.356 -179.221 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.505 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -52.12 -30.18 25.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.393 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 22.0 t0 -83.75 100.61 11.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.862 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.8 mt -73.66 -38.51 64.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.425 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 20.0 p-10 -92.05 1.9 56.91 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 -179.356 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 54.4 112.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.877 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.454 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 10.8 m-20 -158.56 10.88 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.784 0.325 . . . . 0.0 110.548 179.813 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.49 0.6 12.23 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -148.82 160.67 43.01 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.875 0.369 . . . . 0.0 110.427 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.8 t -117.91 125.51 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 CA-C-O 121.153 0.502 . . . . 0.0 110.538 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.685 HD21 ' N ' ' A' ' 137' ' ' ASN . 0.6 OUTLIER -88.24 150.08 23.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.375 179.869 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.404 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 68.3 t80 -45.84 -42.1 11.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.145 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.63 -49.91 75.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.83 -40.36 97.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.136 179.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -60.2 -52.38 65.56 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.92 0.39 . . . . 0.0 110.497 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.404 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 52.1 t -57.95 -44.49 86.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.045 -179.471 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.453 ' O ' ' OG1' ' A' ' 147' ' ' THR . 25.0 mtpp -64.22 -37.06 86.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.919 0.39 . . . . 0.0 111.207 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -35.64 78.87 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.2 ttm -90.46 -15.44 30.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.025 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.515 ' O ' ' OG1' ' A' ' 147' ' ' THR . 3.9 mmt -124.39 46.12 2.36 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.259 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.673 ' C ' ' H ' ' A' ' 149' ' ' ARG . 1.3 m -173.59 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.674 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 98.8 t 57.96 -7.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.005 -179.047 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.673 ' H ' ' C ' ' A' ' 147' ' ' THR . 84.3 mtp180 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.821 -1.085 . . . . 0.0 110.28 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -62.13 -43.94 97.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.399 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.455 ' O ' ' OG ' ' B' ' 25' ' ' SER . 26.8 mt-30 -65.34 -39.17 92.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.588 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.476 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 10.8 tpp85 -59.96 -46.33 89.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.47 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.505 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 8.8 m95 -66.7 -47.27 72.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.956 0.408 . . . . 0.0 110.031 179.009 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -64.12 -37.89 89.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.783 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 68.3 m -61.22 -43.44 98.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.17 179.358 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.444 ' O ' ' CG2' ' B' ' 30' ' ' VAL . 50.2 p -60.18 -43.66 95.68 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.31 -43.88 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.223 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -65.25 -46.73 79.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.264 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.98 -41.63 91.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.602 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' B' ' 26' ' ' SER . 54.0 t -61.31 -42.78 94.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.004 179.437 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -57.8 -46.04 85.2 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.066 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -65.25 -39.15 92.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.057 179.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.671 ' O ' ' N ' ' B' ' 35' ' ' ARG . 61.5 ttp180 -63.91 -45.75 87.91 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.626 -179.768 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.635 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 47.07 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 O-C-N 123.67 0.606 . . . . 0.0 110.663 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.671 ' N ' ' O ' ' B' ' 33' ' ' ARG . 44.1 ttm180 66.57 -33.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.537 0.523 . . . . 0.0 110.068 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.635 ' H ' ' C ' ' B' ' 34' ' ' ALA . 55.5 ttm-85 -87.73 -8.49 55.99 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.121 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.497 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.9 OUTLIER 67.03 42.46 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.407 179.38 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.508 ' NH2' ' OG1' ' A' ' 79' ' ' THR . 14.5 mtm180 -38.13 -34.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.668 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.0 ttt -65.05 -71.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.66 -43.06 98.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.469 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' B' ' 36' ' ' ARG . 22.4 m -54.7 -44.96 73.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.526 -179.465 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -63.58 -41.94 98.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.375 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' B' ' 43' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.423 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' A' ' 3' ' ' ILE . . . . . . . . 0 N--CA 1.486 1.352 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 1' ' ' ALA . 99.7 m-20 33.51 -85.53 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.811 0.694 . . . . 0.0 110.986 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.601 ' N ' ' O ' ' A' ' 1' ' ' ALA . 95.9 mt -63.73 166.33 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.45 179.304 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.511 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 0.2 OUTLIER 72.52 139.56 0.05 Allowed 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 123.832 0.707 . . . . 0.0 110.409 179.838 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 t -113.67 162.52 16.14 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 121.255 0.55 . . . . 0.0 110.284 178.435 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -57.52 -27.03 62.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.558 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -48.17 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.834 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -49.22 -45.16 44.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 mm -61.21 -44.03 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.234 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.0 t -55.64 -46.97 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -54.39 -48.27 71.74 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.38 0.609 . . . . 0.0 109.889 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -62.94 -41.95 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.033 178.374 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -56.79 -37.54 71.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.994 -179.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.13 -50.19 71.4 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.371 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.0 -42.54 63.07 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.089 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.534 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 18.3 t80 -59.98 -45.79 91.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.173 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.91 -41.13 58.59 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.59 -42.98 99.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.563 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 15.0 m-85 -62.21 -40.73 97.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.582 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.534 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 93.3 m-20 -105.85 74.97 1.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.721 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -53.84 -18.35 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.8 p30 -106.67 34.34 3.46 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.27 61.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.891 -0.483 . . . . 0.0 111.891 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 75.5 m-20 -86.61 -29.45 22.56 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 120.364 -0.535 . . . . 0.0 109.768 -178.256 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.507 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 105.42 7.71 36.75 Favored Glycine 0 N--CA 1.467 0.76 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.645 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 41.5 m -154.76 157.28 37.75 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 120.873 0.368 . . . . 0.0 110.291 179.732 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.41 HD12 HG22 ' A' ' 27' ' ' ILE . 98.8 mt -112.91 116.52 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.241 179.401 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 m -104.67 151.73 23.35 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.753 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.5 t -49.8 -42.67 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.116 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.71 -59.5 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.579 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 60.2 mt-10 -59.11 -46.18 88.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.002 0.429 . . . . 0.0 110.044 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.94 -40.28 97.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.644 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.98 -46.67 89.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.975 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.431 ' OG1' ' NH2' ' A' ' 37' ' ' ARG . 20.6 m -55.24 -42.81 73.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.105 179.639 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.57 -47.86 91.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.4 mt -65.01 -45.05 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.756 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.431 ' NH2' ' OG1' ' A' ' 34' ' ' THR . 88.4 mtm180 -54.19 -43.05 70.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.285 -179.411 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.64 ' C ' ' H ' ' A' ' 40' ' ' ASP . 4.6 t -63.26 -30.06 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.085 178.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' CD2' ' OG ' ' B' ' 41' ' ' SER . 0.7 OUTLIER -62.23 10.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.64 ' H ' ' C ' ' A' ' 38' ' ' SER . 2.2 t70 80.75 -13.36 0.94 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.539 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -113.67 139.11 49.33 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -129.31 80.38 72.4 Favored Pre-proline 0 N--CA 1.466 0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.159 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.41 155.79 50.29 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.961 2.441 . . . . 0.0 112.1 179.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.33 143.63 57.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.446 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 49' ' ' GLN . 22.4 pt-20 -63.4 -28.72 70.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.679 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 81.1 tt0 -60.49 -62.37 1.91 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.955 -179.266 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.502 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 38.5 tp10 -59.58 -27.24 66.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.111 0.481 . . . . 0.0 110.575 -179.609 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.6 tp -80.44 -39.92 27.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.0 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 45' ' ' GLU . 56.0 tt0 -68.56 -42.25 78.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.042 -178.506 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 51' ' ' MET . 2.5 p30 -72.53 -44.72 61.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.752 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.554 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 35.0 ttp -57.76 -45.99 85.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.588 -179.438 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.82 -42.23 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.009 179.21 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.1 p -74.11 -27.64 60.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 -179.516 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 50' ' ' ASP . 83.2 tt0 -65.24 -43.35 91.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.54 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 82.6 t -75.75 -44.26 39.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.683 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.439 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 10.5 t0 -76.04 108.47 8.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.29 -179.168 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.595 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -43.9 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.1 p30 -60.02 4.13 0.05 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.595 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 18.08 60.22 0.01 OUTLIER Glycine 0 C--N 1.344 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.525 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.702 HD21 ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -82.45 -17.54 44.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.737 0.304 . . . . 0.0 110.555 -178.827 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.702 ' N ' HD21 ' A' ' 60' ' ' ASN . . . 102.86 4.73 48.31 Favored Glycine 0 N--CA 1.464 0.505 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.464 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.693 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 21.9 p -135.19 124.19 24.21 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.513 179.674 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.6 mt -92.03 124.39 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.252 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.07 171.93 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.375 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -55.14 -46.09 75.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.48 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.64 -42.25 96.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.86 0.362 . . . . 0.0 110.821 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -71.86 -48.17 47.83 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.551 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -56.79 -45.21 82.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tt -58.79 -59.86 4.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.63 -178.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.4 m -64.27 -43.47 94.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.077 0.465 . . . . 0.0 111.197 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.458 ' C ' ' CD2' ' A' ' 71' ' ' LEU . 5.6 tt -46.29 -48.16 18.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.698 -179.275 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.3 tpt -85.18 -61.21 1.82 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.153 -178.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.19 -32.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.975 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -88.33 -61.32 1.74 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.438 -179.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -61.73 94.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.116 -179.545 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.9 t -156.22 79.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.562 179.015 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' A' ' 79' ' ' THR . 62.5 tttm -127.68 -105.24 0.32 Allowed 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 119.084 -0.484 . . . . 0.0 109.894 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' LYS . 99.2 m-20 24.99 -82.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 O-C-N 124.091 0.869 . . . . 0.0 111.425 -179.73 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.604 ' N ' ' O ' ' A' ' 77' ' ' LYS . 55.3 m 60.52 146.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.82 0.7 . . . . 0.0 110.11 178.406 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 18.8 t0 -156.49 138.33 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.24 179.847 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.522 ' N ' ' OD1' ' A' ' 80' ' ' ASP . . . -63.8 -58.49 6.66 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.435 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -54.62 -32.64 59.2 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.104 0.478 . . . . 0.0 111.487 -179.511 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -76.08 -47.3 25.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.179 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 30.1 tt0 -76.64 -32.01 57.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.105 0.478 . . . . 0.0 110.675 -179.489 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.64 -40.15 92.19 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.292 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -83.46 -43.73 15.5 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.284 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.525 ' OE1' ' NE ' ' B' ' 38' ' ' ARG . 78.6 tt0 -64.41 -38.27 90.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.233 -179.523 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -66.74 -59.22 3.76 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.139 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -54.05 -41.99 68.74 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -59.01 -37.75 77.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.6 t -74.15 -51.63 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.967 0.413 . . . . 0.0 110.656 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 8.3 m-30 -60.66 -48.41 81.9 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.639 -179.566 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 96' ' ' GLN . 34.8 t0 -84.19 68.2 10.04 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.307 0.379 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -40.88 -59.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.178 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 55.6 p-10 -66.9 -4.14 8.68 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.98 -179.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 93' ' ' ASP . 12.0 pt20 34.89 59.26 0.7 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.483 0.49 . . . . 0.0 110.706 179.292 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -96.98 3.05 52.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.417 -179.244 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.8 1.72 58.62 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.471 ' CG ' ' NE2' ' A' ' 135' ' ' GLN . 2.7 m-85 -145.49 150.05 35.76 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 110.156 179.671 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.0 mt -97.65 117.24 42.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.222 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 m -84.93 147.92 26.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.349 179.566 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.9 -45.54 74.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.635 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.522 ' OG ' ' NE2' ' A' ' 107' ' ' HIS . 11.7 t -60.7 -44.09 96.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 110.635 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -59.53 -55.14 38.31 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 121.073 0.463 . . . . 0.0 110.443 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.2 tp -62.43 -21.41 65.4 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.393 179.17 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -82.45 -41.56 19.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.793 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.522 ' NE2' ' OG ' ' A' ' 103' ' ' SER . 37.8 m-70 -56.33 -50.79 70.46 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.607 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 109' ' ' MET . 13.9 t -62.32 -63.88 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.898 179.536 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -32.12 -74.68 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.517 0.51 . . . . 0.0 111.233 -179.098 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 20.7 tt -49.05 -47.97 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.485 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 11.2 m120 -61.45 -15.49 37.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.278 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 108' ' ' VAL . 3.7 mp -113.77 7.69 17.21 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 179.168 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.57 109.3 3.3 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 2.7 tt0 -172.47 179.22 2.55 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.125 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 12.5 mttp 161.77 52.42 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.599 0.714 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 22.8 mt -104.9 138.03 41.75 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.764 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.6 p -48.57 150.0 1.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.598 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -45.44 -42.37 10.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.496 -179.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -56.41 -46.61 80.11 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.36 0.6 . . . . 0.0 110.501 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -63.56 -38.49 91.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.238 179.174 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.96 -42.47 86.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.42 0.628 . . . . 0.0 109.638 179.368 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -54.31 -57.76 9.99 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.601 -0.439 . . . . 0.0 109.916 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -55.45 -26.04 39.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.485 0.66 . . . . 0.0 110.954 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.507 ' C ' ' SD ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -60.24 -54.77 41.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.373 -179.4 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.2 tt -86.21 -29.37 6.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.047 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -60.03 -27.3 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.607 -178.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -68.6 -49.73 57.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.16 -179.289 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.29 -6.73 52.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.174 0.511 . . . . 0.0 110.652 -179.696 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.485 ' OD1' ' O ' ' A' ' 132' ' ' GLY . 0.2 OUTLIER -88.82 91.61 8.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.558 179.66 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.553 ' N ' ' CD2' ' A' ' 130' ' ' LEU . 3.8 mm? -70.11 -57.63 4.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.805 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -91.77 1.05 57.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.0 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.61 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 70.72 -75.53 0.56 Allowed Glycine 0 C--O 1.224 -0.491 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.952 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.571 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 6.1 p30 40.74 16.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.665 0.269 . . . . 0.0 110.422 -179.042 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 75.7 -20.14 2.38 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.463 -0.399 . . . . 0.0 112.299 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.571 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 12.9 pt20 -136.88 174.44 10.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.785 0.802 . . . . 0.0 110.837 -178.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.7 t -110.2 123.01 65.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.828 179.38 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.668 HD21 ' N ' ' A' ' 137' ' ' ASN . 0.4 OUTLIER -80.53 154.68 27.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.409 179.504 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -55.38 -44.35 76.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.404 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -54.74 -44.42 73.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.252 -179.567 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.32 -38.22 88.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.312 179.521 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.01 -48.19 82.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.793 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.2 t -60.6 -44.42 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.673 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.445 ' O ' ' OG1' ' A' ' 147' ' ' THR . 51.3 mtpt -60.25 -41.41 93.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.053 -179.35 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' A' ' 144' ' ' MET . 6.0 tmm? -72.64 -37.7 67.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.129 0.49 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.473 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 2.2 tpt -63.56 -33.73 76.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.935 -179.483 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.8 mmt -80.27 -55.34 4.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 -179.332 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 143' ' ' LYS . 0.5 OUTLIER -46.8 -63.99 0.88 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.174 -179.217 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 145' ' ' MET . 4.7 t 43.78 59.22 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.334 -179.357 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.467 ' O ' ' NE ' ' B' ' 20' ' ' ARG . 40.6 ptt180 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.558 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.445 ' H2 ' ' H ' ' B' ' 20' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.467 ' NE ' ' O ' ' A' ' 149' ' ' ARG . 25.2 mtm-85 -59.81 -47.26 86.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -66.07 -40.74 91.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.56 -179.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -61.6 -42.33 98.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.984 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -60.88 -48.39 82.03 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.034 178.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -66.03 -34.0 77.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.774 179.27 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.4 t -60.59 -46.89 88.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.149 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 28.7 m -60.75 -43.8 97.52 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.259 179.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.8 t -67.66 -42.83 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.207 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -61.58 -42.52 98.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.56 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 56.6 mt -61.34 -41.96 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.757 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 64.0 t -60.35 -40.06 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.523 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.406 ' HZ2' HH12 ' B' ' 38' ' ' ARG . 27.2 tttp -60.03 -46.68 88.73 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.229 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -67.23 -38.72 85.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.134 178.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.623 ' NH2' ' NH2' ' B' ' 35' ' ' ARG . 58.5 ttt85 -67.74 -44.38 77.72 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.341 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . 36.83 92.08 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.203 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.623 ' NH2' ' NH2' ' B' ' 33' ' ' ARG . 6.3 mmt85 -93.72 7.91 43.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.47 179.677 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.418 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 90.1 mtt-85 -130.73 1.38 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER 62.05 45.96 6.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.419 179.572 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.525 ' NE ' ' OE1' ' A' ' 87' ' ' GLU . 65.7 mtp180 -39.73 -37.6 0.55 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.992 0.425 . . . . 0.0 110.653 -179.279 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 85.1 mmm -67.39 -68.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.156 -179.498 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.56 -43.09 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.588 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.487 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 30.2 t -55.33 -44.68 76.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.222 -179.229 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -64.16 -41.56 97.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 179.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' B' ' 43' ' ' LEU . 10.5 mp . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.38 -179.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -116.89 -34.64 4.37 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.659 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.2 tt -117.62 153.92 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.813 -179.694 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.8 30.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.343 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -101.08 164.51 11.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.767 179.598 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -57.63 -14.52 5.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.76 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 11.6 mp0 -60.54 -57.44 12.71 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.941 0.4 . . . . 0.0 110.54 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' HG3' ' H ' ' A' ' 9' ' ' ILE . 1.2 pp0? -47.06 -40.25 14.59 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.091 -179.515 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.404 ' H ' ' HG3' ' A' ' 8' ' ' GLN . 29.7 mm -66.33 -42.71 91.14 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.293 179.152 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.89 -47.73 85.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.704 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.81 -53.62 54.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.301 0.572 . . . . 0.0 110.233 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -58.21 -42.57 86.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.621 179.362 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -62.03 -40.27 95.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.418 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -58.88 -51.61 69.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.377 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.44 -37.78 70.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.936 0.398 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 59.2 t80 -63.72 -47.57 80.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.602 179.068 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.24 -36.02 61.51 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.456 -1.057 . . . . 0.0 110.456 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.55 -46.01 77.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.681 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.539 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 8.2 m-85 -56.0 -34.35 65.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.165 -179.407 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.417 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 97.9 m-20 -103.31 79.8 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.846 -179.678 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -56.92 -15.98 5.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.276 -179.212 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' GLY . 50.6 p30 -117.14 35.1 4.79 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.763 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.35 56.45 0.01 OUTLIER Glycine 0 C--N 1.349 1.288 0 O-C-N 123.963 0.789 . . . . 0.0 111.781 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 25.8 p-10 -81.96 -27.61 33.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.933 0.397 . . . . 0.0 110.764 -178.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.37 7.27 28.49 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 20.7 m -159.51 163.01 35.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.4 mt -116.69 119.4 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 m -97.14 151.57 19.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.017 0.436 . . . . 0.0 111.134 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.0 t -46.01 -41.69 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.119 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.31 -56.91 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -57.0 -45.14 83.23 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -41.43 97.23 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.881 -178.587 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.64 -47.92 78.68 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.759 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 m -60.16 -54.78 41.75 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.204 -179.257 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' ' OG ' ' A' ' 38' ' ' SER . 83.9 t -48.27 -46.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.442 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.3 mt -62.47 -43.62 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.602 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.81 -29.8 65.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.944 0.402 . . . . 0.0 110.676 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 40' ' ' ASP . 25.0 p -56.78 -31.32 64.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.389 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 41' ' ' GLN . 5.7 mp -75.74 13.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.366 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' A' ' 38' ' ' SER . 11.8 t0 72.73 -18.6 0.34 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.527 ' H ' ' C ' ' A' ' 39' ' ' LEU . 77.9 mt-30 -78.45 168.65 19.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.289 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -156.74 84.15 3.11 Favored Pre-proline 0 C--N 1.323 -0.554 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.703 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -75.61 170.62 19.85 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.796 2.331 . . . . 0.0 111.942 -179.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 46' ' ' GLU . 73.8 m -79.91 155.76 27.6 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.549 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 49' ' ' GLN . 12.2 pt-20 -73.67 -40.74 63.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.534 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' H ' HG22 ' A' ' 44' ' ' THR . 80.7 mm-40 -49.31 -60.87 2.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.506 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.59 -67.45 0.33 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -43.66 -46.02 7.17 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.616 -178.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 66.3 tt0 -66.09 -37.14 85.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.255 179.635 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -66.93 -43.87 82.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.498 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.6 tmm? -60.15 -45.7 92.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.774 -179.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.2 mt -70.28 -28.8 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.971 0.415 . . . . 0.0 110.32 179.358 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.9 m -68.36 -46.77 69.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.277 -179.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -62.55 -37.62 86.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 t -80.6 -44.8 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.645 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 60' ' ' ASN . 34.3 t0 -69.07 100.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.415 -179.488 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.605 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -49.73 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.913 -179.637 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 59' ' ' GLY . 32.6 p-10 -63.04 8.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.578 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.605 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 28.63 62.84 0.12 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.459 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 38.7 p30 -101.31 26.61 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.464 -179.055 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 49.7 18.95 1.94 Allowed Glycine 0 CA--C 1.518 0.221 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.7 p -138.46 138.18 37.87 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.692 0.282 . . . . 0.0 110.315 179.445 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 52.1 mt -102.06 129.82 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.834 0.35 . . . . 0.0 110.47 -179.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -94.11 154.92 17.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.359 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -44.0 -50.16 8.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.545 -179.335 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -60.89 -36.78 80.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.394 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.24 -48.35 57.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.497 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.0 -42.77 99.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.296 179.56 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.27 -62.34 1.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.674 -178.778 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.7 p -59.61 -37.28 78.16 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.283 -179.006 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.457 ' CD1' ' C ' ' A' ' 71' ' ' LEU . 3.0 tm? -62.03 -51.92 66.04 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.801 -178.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.558 ' SD ' ' SD ' ' B' ' 39' ' ' MET . 8.0 tpt -73.33 -40.48 64.42 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.413 -179.049 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.4 -23.68 65.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.756 -179.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -57.98 -64.58 0.86 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.729 -179.359 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 76' ' ' VAL . 49.9 tptt -42.13 -79.88 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.264 -178.338 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.515 ' C ' ' O ' ' A' ' 75' ' ' LYS . 10.1 t -17.47 108.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 124.296 0.997 . . . . 0.0 110.606 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -170.73 -86.77 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.486 -179.052 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.45 ' O ' ' OG1' ' A' ' 79' ' ' THR . 65.6 t0 -167.04 -52.86 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.44 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 78' ' ' ASP . 30.4 p 54.78 -134.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.686 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 8.8 t0 -76.79 143.46 39.81 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.463 0.649 . . . . 0.0 110.939 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.498 ' N ' ' OD1' ' A' ' 80' ' ' ASP . . . -73.47 -54.86 7.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.776 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.54 -17.42 13.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.11 0.481 . . . . 0.0 110.51 -179.416 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -81.11 -53.64 6.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.435 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.559 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 73.6 mm-40 -72.24 -36.56 69.13 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.258 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tp -67.14 -39.73 86.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.691 -179.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -80.36 -43.39 21.2 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -57.61 -42.98 84.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.152 0.501 . . . . 0.0 110.069 -179.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.14 -56.05 22.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.923 179.446 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.478 ' CZ ' ' CG ' ' A' ' 93' ' ' ASP . 80.8 t80 -55.88 -38.25 69.9 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.278 179.821 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -57.23 -37.86 72.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 82.8 t -72.36 -51.56 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.807 179.306 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -62.52 -49.0 77.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.226 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' GLN . 0.9 OUTLIER -76.92 53.6 0.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.263 0.554 . . . . 0.0 109.74 -179.69 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -42.3 -59.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.307 -178.506 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.452 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 1.5 p-10 -69.01 -3.84 14.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.409 -179.818 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 93' ' ' ASP . 97.3 mt-30 46.43 47.66 13.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.498 179.555 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -87.79 -2.87 58.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.519 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.432 ' O ' ' OD1' ' A' ' 137' ' ' ASN . . . 92.03 1.47 70.0 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.433 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 6.3 m-85 -144.53 149.95 36.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.7 mt -97.85 115.2 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.556 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -89.49 148.98 23.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.224 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.19 -43.75 32.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.352 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.8 t -58.63 -40.78 84.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.386 . . . . 0.0 110.505 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 83.1 mt-10 -65.24 -51.87 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.101 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.6 tp -67.61 -26.79 66.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.365 179.655 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -78.62 -45.54 21.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.144 179.556 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -56.75 -48.71 77.2 Favored 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.659 0.599 . . . . 0.0 109.657 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 109' ' ' MET . 52.0 t -63.04 -62.92 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.738 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' VAL . 1.4 mmt -31.8 -73.2 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.055 0.455 . . . . 0.0 111.046 -179.366 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.429 ' C ' ' H ' ' A' ' 112' ' ' LEU . 15.7 tt -51.25 -45.5 32.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.753 -179.265 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.418 ' N ' ' CG2' ' A' ' 110' ' ' ILE . 24.8 t-20 -54.09 -12.01 0.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.541 -179.512 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' A' ' 110' ' ' ILE . 88.3 mt -99.45 11.03 40.25 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.735 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.72 -55.09 1.4 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.77 111.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.817 0.342 . . . . 0.0 110.5 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -94.59 118.16 31.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.263 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 66.2 mt -110.49 136.66 49.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.424 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.2 p -69.73 168.31 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.515 -179.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -64.23 -23.48 67.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.298 -179.769 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -71.3 -46.48 60.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.942 0.401 . . . . 0.0 110.688 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.23 -44.35 84.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.62 -48.42 86.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.25 -27.05 68.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.986 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -67.71 -63.38 1.07 Allowed 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.984 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 5.0 ttp -53.24 -56.44 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.574 -178.103 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.1 tt -50.96 -38.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.454 -179.377 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -67.98 -35.74 78.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.76 178.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -77.79 -54.71 6.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.67 -38.45 46.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.705 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.551 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 37.4 t0 -69.58 108.18 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.02 -44.03 55.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.688 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.526 ' O ' ' O ' ' A' ' 132' ' ' GLY . 32.9 p30 -89.56 2.09 55.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.038 -179.104 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.526 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 48.44 113.11 0.01 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.352 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.551 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.3 m-20 -153.5 -12.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.238 -0.566 . . . . 0.0 110.657 179.817 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.73 -9.15 55.25 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -144.22 149.8 36.94 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.821 0.344 . . . . 0.0 110.397 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.4 t -100.14 124.48 53.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.287 0.565 . . . . 0.0 110.734 179.577 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 98' ' ' GLY . 54.8 t30 -86.73 155.8 20.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.413 179.346 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -51.08 -42.24 60.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.109 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -61.1 -44.52 97.23 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.52 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.425 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 97.5 mt-10 -66.05 -41.94 90.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.154 179.471 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -61.75 -48.13 82.07 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.128 0.49 . . . . 0.0 110.345 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 28.1 t -60.98 -45.07 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.184 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' A' ' 147' ' ' THR . 11.0 ttmm -59.9 -36.04 76.13 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.22 -179.112 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 ttp -70.62 -30.28 66.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.979 0.418 . . . . 0.0 110.679 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.8 mmt -73.48 -27.16 61.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.009 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.12 63.21 1.41 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.541 -179.725 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.51 ' O ' ' C ' ' A' ' 148' ' ' VAL . 99.8 m -164.22 -34.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.502 179.622 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.51 ' C ' ' O ' ' A' ' 147' ' ' THR . 48.8 t -16.81 122.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 124.242 0.964 . . . . 0.0 111.082 -179.676 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 . . . . . 0 C--N 1.322 -0.609 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.687 -178.709 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.517 ' O ' ' SD ' ' A' ' 124' ' ' MET . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.654 ' NH1' HE22 ' B' ' 21' ' ' GLN . 8.6 tmm_? -57.46 -39.05 75.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.439 -179.823 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.654 HE22 ' NH1' ' B' ' 20' ' ' ARG . 94.4 mm-40 -63.44 -41.87 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.279 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -64.38 -39.31 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.283 179.578 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 2.8 m95 -62.25 -49.93 73.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.021 0.438 . . . . 0.0 110.011 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -65.57 -36.97 85.33 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.879 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 21' ' ' GLN . 50.9 m -60.5 -43.74 96.71 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.197 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 23' ' ' TRP . 89.5 p -60.57 -43.28 97.49 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.286 179.819 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.402 ' O ' HG12 ' B' ' 30' ' ' VAL . 95.0 t -70.88 -41.34 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.601 0.715 . . . . 0.0 110.721 179.501 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.2 t -70.44 -39.61 74.25 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.303 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 65.5 mt -65.65 -43.62 93.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.754 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.402 HG12 ' O ' ' B' ' 27' ' ' VAL . 0.3 OUTLIER -63.29 -37.65 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.974 -179.424 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.559 ' NZ ' ' OE1' ' A' ' 84' ' ' GLU . 9.6 ttmm -77.01 -37.28 55.33 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.754 -179.302 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -78.78 -16.0 57.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.062 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' B' ' 34' ' ' ALA . 24.1 ttm180 -89.75 -58.34 2.55 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.22 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 33.05 57.8 0.46 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.41 0.444 . . . . 0.0 110.896 -179.41 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -60.76 -6.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.169 -178.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.459 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 28.8 ptt180 -107.53 -4.46 18.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.539 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 1.5 m-85 66.18 48.43 1.68 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.621 -179.439 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -45.56 -31.37 1.8 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.851 0.358 . . . . 0.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' MET . . . . . 0.558 ' SD ' ' SD ' ' A' ' 72' ' ' MET . 45.7 mtt -68.22 -65.4 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.718 -179.486 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.92 -42.3 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.395 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -53.62 -45.56 70.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.197 -179.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -64.43 -40.61 96.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.335 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.408 -179.816 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.29 143.36 57.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.343 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.431 HG22 ' H ' ' A' ' 4' ' ' LEU . 1.1 mt -102.79 -158.69 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.337 -179.651 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' H ' HG22 ' A' ' 3' ' ' ILE . 80.0 mt -74.46 173.78 9.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.261 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -137.26 135.81 37.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.352 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.471 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 49.2 mp0 -55.7 -25.91 42.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.42 -179.712 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -53.27 -61.04 2.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.549 -179.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -47.92 -42.01 26.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.266 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.49 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 1.3 mp -68.97 -42.1 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.323 179.151 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.78 -50.05 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.229 -179.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -59.74 -47.54 85.26 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.449 -0.5 . . . . 0.0 109.897 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.12 -43.36 99.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.55 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -63.72 -40.74 97.5 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.497 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -56.95 -50.87 71.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.269 -179.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.34 77.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.159 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.7 -48.39 80.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.406 179.218 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.93 -33.32 63.54 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.75 -46.39 75.55 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.905 179.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -64.01 -36.17 83.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.656 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 58.8 t0 -92.04 80.18 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.26 0.553 . . . . 0.0 110.878 -179.254 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -64.85 -31.4 72.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.291 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 23' ' ' GLY . 54.3 p-10 -101.44 33.99 2.74 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.133 -179.212 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.511 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.6 57.76 0.01 OUTLIER Glycine 0 C--N 1.351 1.412 0 O-C-N 124.052 0.845 . . . . 0.0 111.857 179.338 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 21.6 p-10 -88.95 -25.38 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.393 . . . . 0.0 110.522 -178.753 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 111.02 -15.61 28.26 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' OD2' ' A' ' 24' ' ' ASP . 2.3 m -145.06 134.24 22.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.105 0.478 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.7 mt -80.9 124.0 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.3 m -94.88 152.69 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.624 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.4 t -45.98 -43.97 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.192 -179.563 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -61.81 -51.88 66.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.571 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -56.19 -46.41 79.4 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 2.8 tm? -64.01 -43.68 94.92 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.247 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.98 77.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.967 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.3 m -58.27 -43.49 87.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.513 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.4 t -58.76 -47.04 90.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.514 -179.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.7 mt -61.09 -42.46 93.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.892 0.377 . . . . 0.0 110.213 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -54.02 -41.7 68.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.19 -179.375 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -88.43 16.08 6.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.501 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.13 8.61 6.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.986 179.42 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -176.43 -105.36 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.46 ' CG ' ' H ' ' A' ' 42' ' ' ASN . 1.4 pt20 -129.56 -106.64 0.29 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.661 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.46 ' H ' ' CG ' ' A' ' 41' ' ' GLN . 39.6 t30 -163.02 76.3 1.89 Allowed Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.444 -179.788 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 42' ' ' ASN . 50.3 Cg_exo -54.65 -140.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 123.034 2.49 . . . . 0.0 111.892 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 t -129.5 148.98 51.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.4 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -65.17 -29.98 70.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -54.44 -47.13 73.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -60.29 -68.92 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.0 mt -46.25 -46.22 17.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.232 -179.01 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -57.97 -41.16 82.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.305 179.333 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -66.32 -49.06 68.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.625 179.522 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.8 ttm -62.89 -47.95 81.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.524 -179.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.453 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 33.8 mm -64.9 -27.42 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.236 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.4 t -82.95 -38.91 22.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.945 0.403 . . . . 0.0 111.415 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -57.97 -35.87 71.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.886 -178.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 57' ' ' ALA . 62.1 t -91.96 -52.86 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.119 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 52' ' ' ILE . 37.4 m-20 -37.43 96.35 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.976 0.417 . . . . 0.0 110.776 -179.528 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -87.36 6.64 32.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.571 179.41 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 59' ' ' GLY . 35.3 p-10 -128.58 17.9 6.35 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.6 39.91 0.04 OUTLIER Glycine 0 N--CA 1.469 0.864 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.759 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 43.5 p-10 -84.87 -29.03 25.59 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.617 0.246 . . . . 0.0 110.65 -179.336 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 90.92 2.4 71.82 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.462 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 22.6 p -137.59 156.89 47.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.709 0.29 . . . . 0.0 110.358 179.743 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.7 mt -103.61 128.05 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.044 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 97.0 mt-10 -101.63 162.24 13.05 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.32 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -42.23 -51.05 4.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 0.0 110.863 -179.356 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -61.48 -37.41 83.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.178 0.513 . . . . 0.0 110.085 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HB2' ' H ' ' A' ' 64' ' ' GLU . 77.2 mt-10 -74.51 -42.06 59.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.669 179.286 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 24.2 t80 -59.8 -44.52 93.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.8 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 73' ' ' ALA . 1.4 tt -60.31 -45.86 91.92 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.305 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.4 t -56.09 -41.89 75.87 Favored 'General case' 0 C--O 1.255 1.356 0 CA-C-O 122.101 0.953 . . . . 0.0 110.535 179.612 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -49.98 74.74 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.187 -179.434 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.0 mmt -85.39 -10.75 55.84 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.536 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -58.26 -31.67 67.64 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.47 -6.73 7.93 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.043 178.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt 68.16 -110.75 0.11 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.715 0.634 . . . . 0.0 111.04 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.6 p -134.64 -53.25 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.503 ' O ' ' C ' ' A' ' 78' ' ' ASP . 62.1 tttm 174.35 144.56 0.05 Allowed 'General case' 0 CA--C 1.517 -0.29 0 O-C-N 123.677 0.611 . . . . 0.0 109.823 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' A' ' 77' ' ' LYS . 91.4 m-20 -18.45 -73.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.067 0.854 . . . . 0.0 111.242 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.538 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 2.1 m -162.67 -139.15 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 177.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.538 ' CG ' ' O ' ' A' ' 79' ' ' THR . 35.5 m-20 127.49 116.32 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 O-C-N 125.754 1.909 . . . . 0.0 111.094 179.219 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.32 -54.09 6.9 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.193 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -53.9 -25.2 19.03 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.205 -179.456 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -79.71 -62.57 1.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.868 179.848 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.99 -36.32 82.99 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.669 -179.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.2 tp -67.18 -40.33 86.56 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.145 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -81.98 -48.31 11.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.244 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -60.13 -30.98 69.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.273 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.07 -59.1 3.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.202 179.285 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 1.1 t80 -59.1 -31.07 68.59 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.07 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -65.47 -36.92 85.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -178.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.2 t -75.74 -57.98 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -55.84 -43.94 77.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 11.9 t0 -84.53 65.24 8.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.062 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -44.84 -55.88 5.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.605 -178.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -76.85 0.95 18.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 -178.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.426 ' OE1' ' CE1' ' A' ' 89' ' ' PHE . 12.9 mm100 48.11 23.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.457 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -53.76 -11.83 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.594 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.427 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.88 -9.62 55.26 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 1.8 m-85 -138.32 145.29 41.0 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 120.62 0.248 . . . . 0.0 110.374 -179.662 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -89.14 116.38 30.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.476 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 4.6 p -84.97 152.12 23.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.166 179.654 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.21 81.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.78 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.2 m -59.39 -42.88 92.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.79 0.328 . . . . 0.0 110.638 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.476 ' H ' ' HG ' ' A' ' 101' ' ' SER . 70.7 mt-10 -65.9 -54.0 32.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.469 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.31 -24.64 65.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.412 179.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -80.68 -41.87 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.926 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.694 ' CE1' HD22 ' A' ' 111' ' ' ASN . 83.6 t60 -55.31 -52.2 64.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.495 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 109' ' ' MET . 6.5 t -62.34 -62.64 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 120.199 -0.6 . . . . 0.0 110.033 179.43 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.463 ' CE ' ' OG ' ' B' ' 26' ' ' SER . 0.6 OUTLIER -32.16 -74.8 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.125 0.488 . . . . 0.0 111.179 -179.182 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 111' ' ' ASN . 20.3 tt -52.28 -47.85 44.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.076 -178.804 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.694 HD22 ' CE1' ' A' ' 107' ' ' HIS . 45.7 m-20 -50.83 -12.86 0.12 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.755 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.486 ' O ' ' C ' ' A' ' 113' ' ' GLY . 7.4 mp -106.77 82.26 1.68 Allowed 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 18.23 60.1 0.01 OUTLIER Glycine 0 N--CA 1.471 0.967 0 O-C-N 124.329 1.018 . . . . 0.0 111.997 179.071 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -145.93 120.71 9.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.245 0.545 . . . . 0.0 110.601 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -95.68 93.34 7.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.534 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.11 140.14 44.51 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.361 -179.733 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.8 p -88.4 177.82 6.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.379 179.371 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 18.5 p-10 -65.57 -28.59 69.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 179.743 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.97 -53.62 14.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -53.38 -41.18 65.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.002 0.43 . . . . 0.0 110.308 -179.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 82.9 t -64.78 -43.94 96.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.237 0.541 . . . . 0.0 110.128 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.31 -22.04 64.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.424 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -75.13 -57.42 3.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.647 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.497 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 21.3 ptm -58.69 -45.06 90.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 -178.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.497 ' N ' ' CG ' ' A' ' 124' ' ' MET . 3.6 tp -64.63 -41.33 91.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.747 -178.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.454 ' N ' ' CG2' ' A' ' 125' ' ' ILE . 37.1 ttmt -63.63 -45.01 92.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.761 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -73.48 -47.54 40.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.64 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -61.89 -29.03 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.44 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 68.5 t0 -85.14 107.55 17.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.53 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.516 ' N ' ' CD2' ' A' ' 130' ' ' LEU . 3.9 mm? -64.17 -40.2 95.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.65 -179.624 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.46 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 23.5 m-20 -84.42 1.92 43.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.211 -179.572 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.02 31.35 0.46 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.7 p30 -84.93 -1.84 57.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.655 0.264 . . . . 0.0 110.519 -179.663 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.01 17.84 58.79 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -149.55 155.15 39.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.068 0.461 . . . . 0.0 110.421 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.0 t -125.88 125.78 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.455 179.224 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -91.15 158.08 16.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.361 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -51.2 -42.26 60.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.42 -46.75 85.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.438 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.46 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 96.5 mt-10 -65.86 -36.7 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.042 179.406 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -60.93 -47.83 84.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.34 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.68 -45.05 94.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.069 -179.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.424 ' O ' ' OG1' ' A' ' 147' ' ' THR . 21.4 ttpp -64.09 -31.25 72.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.632 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.418 ' SD ' ' O ' ' A' ' 144' ' ' MET . 8.1 tpt -74.72 -28.57 60.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.296 179.67 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 9.3 ttm -92.04 -26.75 18.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.147 -179.296 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 59.0 mtt -100.95 39.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.7 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 143' ' ' LYS . 51.6 m -143.46 -71.52 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.426 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.6 t 38.87 83.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.468 -179.651 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.455 ' H2 ' ' H ' ' B' ' 20' ' ' ARG . . . . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.455 ' H ' ' H2 ' ' B' ' 19' ' ' ALA . 36.9 ptt180 -62.1 -39.8 93.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -67.7 -37.06 81.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.427 ' O ' ' OG ' ' B' ' 26' ' ' SER . 13.5 mmp_? -61.26 -43.49 98.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.196 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.64 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.3 m95 -64.19 -49.75 70.82 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.218 0.532 . . . . 0.0 110.247 179.823 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -65.15 -36.32 83.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.909 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 38.8 t -62.05 -42.62 99.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.185 179.413 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.463 ' OG ' ' CE ' ' A' ' 109' ' ' MET . 1.1 m -60.04 -43.76 95.11 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.316 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.01 -43.84 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.736 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.2 m -67.68 -43.78 79.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.478 -179.234 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 33' ' ' ARG . 77.8 mt -63.23 -42.18 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 25.1 t -58.85 -45.11 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.1 -179.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -67.65 -40.75 84.54 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.936 -179.186 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.7 -23.85 56.2 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.118 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' B' ' 29' ' ' ILE . 75.7 ttt180 -60.63 -52.11 66.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.451 -179.506 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.521 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 19.57 51.47 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.068 0.855 . . . . 0.0 111.491 -179.575 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' B' ' 33' ' ' ARG . 47.7 ttm-85 -69.4 8.47 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.072 -178.378 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' B' ' 34' ' ' ALA . 78.3 mtm180 -126.38 5.12 6.95 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.607 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' B' ' 41' ' ' SER . 0.2 OUTLIER 57.8 66.46 1.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.194 0.521 . . . . 0.0 110.006 179.36 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 81.1 mtm-85 -58.16 -37.88 75.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.219 -179.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 24.2 ttt -60.95 -63.14 1.4 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.37 -43.45 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.703 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 38.3 t -59.7 -44.44 93.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.265 -179.426 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.513 ' O ' ' C ' ' B' ' 43' ' ' LEU . 15.5 t-20 -81.51 -14.71 56.62 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.251 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.513 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.798 0 O-C-N 124.159 0.912 . . . . 0.0 111.888 179.253 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.583 ' C ' ' H ' ' A' ' 4' ' ' LEU . 59.2 p30 -153.43 166.49 32.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.992 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 mm 65.54 -37.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 O-C-N 123.553 0.533 . . . . 0.0 110.794 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.583 ' H ' ' C ' ' A' ' 2' ' ' ASP . 95.9 mt -105.48 -4.32 21.45 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.608 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 m -61.35 143.66 55.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.915 0.388 . . . . 0.0 110.419 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.37 -25.65 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.395 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -57.9 -56.06 26.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.102 0.477 . . . . 0.0 109.726 179.637 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.589 HE22 ' ND2' ' B' ' 32' ' ' ASN . 91.7 mm-40 -46.91 -42.91 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.267 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.419 HG21 HD12 ' A' ' 9' ' ' ILE . 43.7 mm -64.72 -42.6 95.45 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.479 178.861 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.0 t -60.36 -50.25 81.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.249 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.71 -49.06 78.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.112 0.482 . . . . 0.0 110.2 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -61.38 -44.33 97.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.943 179.131 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -61.04 -35.93 78.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.395 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -63.29 -50.26 70.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.172 179.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.33 -36.72 64.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.15 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.529 ' CE1' ' OD2' ' A' ' 20' ' ' ASP . 33.2 t80 -63.42 -46.41 86.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.721 179.001 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.45 -39.31 92.77 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.302 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.18 -51.68 65.39 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.721 -179.612 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -58.44 -34.07 70.42 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.072 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.529 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 46.4 m-20 -97.91 74.04 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -62.53 -19.86 64.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.551 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 23' ' ' GLY . 44.9 p30 -108.02 31.98 5.11 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.682 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.73 57.31 0.01 OUTLIER Glycine 0 N--CA 1.473 1.115 0 O-C-N 124.156 0.91 . . . . 0.0 111.643 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' ASP . 26.1 p-10 -86.37 -24.89 25.63 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.925 0.393 . . . . 0.0 110.418 -179.791 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.67 -24.27 10.42 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 3.7 m -134.27 168.33 19.07 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.392 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.1 mt -112.9 117.62 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.264 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -82.17 -172.88 4.21 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.572 -179.666 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 28' ' ' THR . 61.1 t -82.49 -44.95 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.518 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.56 -44.2 96.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.544 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 46.0 mt-10 -60.25 -47.38 86.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.313 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tp -60.99 -40.02 91.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.19 95.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.236 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.2 m -56.74 -47.1 80.81 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.287 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.53 -44.09 92.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.195 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.426 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 86.6 mt -61.91 -42.72 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.42 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -53.7 -41.46 66.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.246 -179.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.7 t -90.58 21.41 4.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.63 179.279 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.45 -2.6 8.45 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.553 ' CG ' ' H ' ' A' ' 41' ' ' GLN . 8.9 p30 -178.19 -95.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.417 -179.712 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.553 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 3.4 pt20 -131.55 -110.4 0.25 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.974 -179.836 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 0.7 OUTLIER -162.36 93.4 1.27 Allowed Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.447 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -77.73 -171.07 1.08 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.553 2.169 . . . . 0.0 111.88 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.497 ' HG1' ' H ' ' A' ' 46' ' ' GLU . 4.4 t -87.69 147.08 25.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.545 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -66.23 -18.55 65.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.497 ' H ' ' HG1' ' A' ' 44' ' ' THR . 83.0 tt0 -64.79 -45.34 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.814 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.5 -21.24 65.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.622 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.67 -52.55 8.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.072 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -70.77 -27.08 63.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.327 -179.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -69.45 -55.28 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.706 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.5 -39.7 85.19 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.573 -179.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -68.71 -20.95 25.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.601 -179.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.7 t -85.88 -32.93 21.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -65.22 -43.28 92.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.714 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.4 t -80.77 -47.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.433 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 60.8 t0 -62.28 99.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.635 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.591 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -49.17 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.925 -179.597 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 59' ' ' GLY . 53.2 p-10 -67.53 17.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.559 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.591 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 21.83 61.53 0.02 OUTLIER Glycine 0 C--N 1.346 1.092 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.355 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 62' ' ' THR . 51.3 p30 -97.11 24.65 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.298 -179.048 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.77 14.68 7.78 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 40.7 p -140.89 152.43 45.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 110.429 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.0 mt -115.62 133.08 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.308 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -99.02 157.75 16.13 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.327 179.438 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -44.11 -47.49 8.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.639 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.0 -37.08 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.051 0.453 . . . . 0.0 110.304 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -73.53 -43.2 60.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.759 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -61.7 -43.52 98.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.039 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 73' ' ' ALA . 2.6 tt -59.63 -48.66 80.79 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.806 -179.734 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.9 m -54.2 -41.57 68.77 Favored 'General case' 0 C--O 1.252 1.233 0 CA-C-O 122.077 0.942 . . . . 0.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.81 -47.59 85.67 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.546 -179.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.3 mmt -81.47 -17.34 49.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.296 179.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -56.15 -29.31 60.58 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.833 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 75' ' ' LYS . 99.0 mttt -64.01 -10.18 20.2 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.437 178.431 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.625 ' O ' ' N ' ' A' ' 77' ' ' LYS . 18.6 pttp 11.75 98.71 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 O-C-N 124.176 0.922 . . . . 0.0 110.972 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.605 ' C ' ' O ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER 0.1 -67.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 123.821 0.701 . . . . 0.0 111.095 -179.097 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.625 ' N ' ' O ' ' A' ' 75' ' ' LYS . 83.0 tttt 103.02 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.213 1.571 . . . . 0.0 110.555 179.01 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 79' ' ' THR . 32.9 p-10 -174.07 -43.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.617 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.504 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 69.3 p 52.38 -129.25 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.474 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -75.04 151.31 38.73 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.469 0.652 . . . . 0.0 110.85 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.63 -53.27 23.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.36 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -54.52 -17.76 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -80.36 -57.54 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 179.372 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -68.77 -36.98 79.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.105 0.478 . . . . 0.0 110.509 -179.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.15 -38.23 85.15 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.941 -179.383 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -83.89 -38.99 20.4 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -57.15 -44.71 83.7 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.77 -58.53 5.98 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.605 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.515 ' CE1' ' OD2' ' A' ' 93' ' ' ASP . 54.3 t80 -49.64 -41.99 43.92 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.492 179.714 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -62.06 -36.92 83.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 -179.491 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.2 t -74.55 -56.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.782 -179.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -59.89 -47.38 85.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.126 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.515 ' OD2' ' CE1' ' A' ' 89' ' ' PHE . 5.0 t0 -79.66 55.59 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.651 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -41.28 -61.79 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.348 -178.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 2.4 p-10 -68.85 -1.77 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.595 -178.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 93' ' ' ASP . 88.5 mt-30 43.49 44.29 4.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.433 179.444 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -82.37 -4.75 57.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.611 -179.617 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.08 -7.35 64.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -139.34 144.92 38.45 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.807 0.303 . . . . 0.0 110.286 -179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mt -95.4 119.06 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.122 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.8 t -91.93 150.34 21.08 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.676 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.39 -43.45 54.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.445 -179.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.6 t -58.78 -40.66 84.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.535 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -65.46 -51.72 58.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.222 0.534 . . . . 0.0 110.001 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.15 -25.31 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.318 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -80.87 -46.2 15.63 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -52.81 -51.09 62.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' A' ' 109' ' ' MET . 37.2 t -62.56 -62.43 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.925 179.589 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.489 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -30.01 -75.72 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.929 0.395 . . . . 0.0 110.483 -179.583 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.535 ' C ' ' H ' ' A' ' 112' ' ' LEU . 8.7 tp -47.51 -44.12 9.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.611 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 108' ' ' VAL . 4.6 t-20 -49.66 -11.21 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.862 0.363 . . . . 0.0 110.526 -179.65 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.535 ' H ' ' C ' ' A' ' 110' ' ' ILE . 67.7 mt -98.68 7.62 45.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.662 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 79.62 21.87 65.6 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.4 tp10 -103.58 127.31 51.02 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.942 0.401 . . . . 0.0 110.202 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -92.56 96.93 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.985 0.421 . . . . 0.0 111.129 -179.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.4 mt -121.07 129.44 53.34 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.765 179.211 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 76.6 p -77.01 167.67 21.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.513 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.12 -24.72 67.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.364 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -67.32 -49.82 62.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.291 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.435 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 11.9 tm-20 -62.86 -41.87 99.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.151 0.5 . . . . 0.0 110.54 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.8 t -63.32 -43.22 98.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.293 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -64.17 -32.76 74.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.303 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -64.31 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.869 -179.51 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 124' ' ' MET . 3.7 ppp? -56.53 -32.08 64.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.31 -44.25 94.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.368 -179.699 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -70.76 -24.01 62.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.614 -179.465 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -78.57 -52.44 8.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.468 ' HB3' ' HE1' ' B' ' 23' ' ' TRP . . . -57.44 -43.66 84.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.456 -179.618 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.73 107.95 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.268 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.42 -26.43 22.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.624 -179.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -88.72 -6.71 57.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.487 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.21 88.81 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 37.3 p30 -142.1 -21.82 0.7 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.638 0.256 . . . . 0.0 110.691 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 98.6 2.42 57.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -149.3 133.21 17.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.946 0.403 . . . . 0.0 110.565 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.2 t -83.32 124.31 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.46 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.95 159.91 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.587 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -50.84 -41.44 57.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.211 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.68 -51.32 70.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.018 0.437 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.21 -34.6 76.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.024 178.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -61.75 -49.22 77.28 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.299 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.28 -46.42 88.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.135 -179.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.73 -29.93 69.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.486 179.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.3 tpt -70.72 -29.34 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.441 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.607 ' O ' ' O ' ' A' ' 146' ' ' MET . 3.7 ttm -91.97 -15.84 27.4 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.228 -179.382 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.607 ' O ' ' O ' ' A' ' 145' ' ' MET . 1.9 mtt -48.69 -154.63 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.657 0.742 . . . . 0.0 110.855 -179.488 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.48 ' C ' ' H ' ' A' ' 149' ' ' ARG . 2.0 m -75.86 33.66 0.12 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.479 ' H ' ' C ' ' A' ' 146' ' ' MET . 91.4 t -64.41 0.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.109 0.48 . . . . 0.0 110.619 179.521 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 147' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.777 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.409 ' H2 ' ' H ' ' B' ' 20' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.409 ' H ' ' H2 ' ' B' ' 19' ' ' ALA . 32.2 ptt180 -61.48 -34.05 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.606 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -63.92 -43.51 95.72 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.382 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.443 ' O ' ' OG ' ' B' ' 26' ' ' SER . 11.9 mmt85 -63.18 -44.81 94.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.797 0.332 . . . . 0.0 110.501 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.468 ' HE1' ' HB3' ' A' ' 128' ' ' ALA . 2.1 m95 -66.27 -46.42 77.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.211 179.43 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -66.81 -39.94 87.89 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.124 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.8 t -61.78 -42.54 99.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.247 179.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' B' ' 22' ' ' ARG . 4.3 m -60.05 -44.04 94.97 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.29 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.81 -43.42 79.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.894 0.378 . . . . 0.0 110.597 179.684 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -65.88 -45.06 83.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.426 -179.25 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.6 -41.66 92.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.98 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.54 -44.25 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.1 179.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.4 ' HZ1' HH12 ' B' ' 38' ' ' ARG . 35.7 mmtt -64.8 -44.66 89.2 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.687 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . 0.589 ' ND2' HE22 ' A' ' 8' ' ' GLN . 37.9 t30 -65.4 -34.11 77.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.93 179.348 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' B' ' 34' ' ' ALA . 78.7 ttt180 -57.83 -58.67 7.37 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.578 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.552 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 29.64 44.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.535 0.522 . . . . 0.0 111.036 -179.444 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -60.02 -1.22 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.084 -179.301 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.552 ' H ' ' C ' ' B' ' 34' ' ' ALA . 49.1 mmm-85 -107.49 -4.71 18.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 -179.521 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . 0.475 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.4 OUTLIER 62.5 78.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.967 179.314 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.4 HH12 ' HZ1' ' B' ' 31' ' ' LYS . 81.2 mtp180 -58.39 -37.73 75.88 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.421 -179.127 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 59.4 mmm -67.25 -60.06 2.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.128 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.6 -42.95 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.752 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 43.6 t -57.14 -44.92 83.84 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.298 -179.353 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.475 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 9.3 t-20 -78.89 -40.89 31.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.376 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.475 ' OXT' ' O ' ' B' ' 42' ' ' ASN . 5.8 tt . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.145 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 120.935 0.398 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 10' ' ' VAL . 95.4 mt-10 -51.2 -24.67 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.505 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.48 -27.98 64.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.063 0.459 . . . . 0.0 110.754 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -77.32 -55.25 5.56 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.568 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.5 mt -64.51 -32.59 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.188 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 6' ' ' GLU . 20.0 t -62.43 -50.56 79.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -53.94 -48.0 70.7 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.555 -0.458 . . . . 0.0 109.83 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.43 ' CZ ' ' O ' ' B' ' 32' ' ' ASN . 44.4 m-85 -66.84 -41.32 87.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.563 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -59.79 -43.78 94.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.222 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -60.23 -51.24 70.43 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.337 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.91 88.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.052 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 29.8 t80 -54.4 -49.51 69.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.076 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.85 -34.06 56.84 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.63 -43.35 93.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.166 0.508 . . . . 0.0 110.652 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.597 ' CE1' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -64.49 -37.85 88.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.499 179.723 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -96.05 81.47 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.439 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -54.68 -38.96 67.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.054 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.564 ' O ' ' C ' ' A' ' 23' ' ' GLY . 5.1 p30 -93.61 38.07 1.06 Allowed 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 4.41 68.86 0.01 OUTLIER Glycine 0 N--CA 1.466 0.668 0 O-C-N 123.729 0.643 . . . . 0.0 112.015 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 22' ' ' ASP . 75.1 m-20 -91.15 -23.31 20.3 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.59 -27.7 8.66 Favored Glycine 0 N--CA 1.465 0.613 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 m -135.46 130.85 35.38 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.05 0.452 . . . . 0.0 110.677 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.0 mt -76.26 136.25 25.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.571 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 29' ' ' VAL . 57.4 m -106.07 154.87 20.03 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.618 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.426 ' N ' HG22 ' A' ' 28' ' ' THR . 96.1 t -51.43 -44.51 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.085 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -58.84 -58.12 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.469 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 83.5 mt-10 -55.64 -41.66 73.9 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.597 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.9 tp -62.2 -40.52 96.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.061 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.5 96.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.3 m -58.76 -47.75 83.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.367 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.49 -46.02 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.598 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.509 ' CD1' HD11 ' A' ' 48' ' ' LEU . 92.1 mt -63.3 -43.98 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -59.42 -34.82 72.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.22 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 m -89.9 21.68 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.257 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -109.7 12.35 24.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 2.4 m-20 81.45 20.68 0.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 123.303 0.377 . . . . 0.0 110.632 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -157.31 153.61 27.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.28 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -141.05 77.86 20.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 0.0 110.692 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.86 156.88 59.56 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.931 2.421 . . . . 0.0 111.95 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 47' ' ' GLU . 9.3 t -63.84 141.21 58.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.732 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.672 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 1.6 pm0 -63.31 -22.93 67.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.419 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -56.39 -64.17 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.772 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' H ' HG23 ' A' ' 44' ' ' THR . 12.1 pt-20 -62.7 -31.79 72.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.367 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.509 HD11 ' CD1' ' A' ' 36' ' ' ILE . 6.2 tp -63.21 -47.54 82.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.597 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.05 -42.4 72.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.88 -42.34 85.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -62.15 -43.62 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.572 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.623 ' CD1' HD11 ' A' ' 63' ' ' ILE . 5.9 mm -65.15 -44.55 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.796 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.5 t -70.83 -23.14 62.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.649 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -63.7 -43.56 96.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.682 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.55 -49.75 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.608 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.5 104.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.775 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.561 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -48.68 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.416 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.529 ' O ' ' C ' ' A' ' 59' ' ' GLY . 41.9 p30 -64.29 10.57 0.06 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.874 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.561 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 19.96 59.98 0.01 OUTLIER Glycine 0 C--N 1.344 1.008 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.4 p-10 -76.03 -14.35 60.21 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.517 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.09 1.66 45.08 Favored Glycine 0 N--CA 1.463 0.437 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -139.93 146.31 39.04 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.945 0.403 . . . . 0.0 110.369 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.623 HD11 ' CD1' ' A' ' 52' ' ' ILE . 77.1 mt -95.36 121.62 46.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.532 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -84.65 159.54 20.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.088 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -47.85 -50.01 27.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -57.29 -38.29 73.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.849 0.357 . . . . 0.0 110.249 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -71.42 -45.74 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.584 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.36 -45.32 93.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.035 0.445 . . . . 0.0 110.279 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.45 ' C ' HD23 ' A' ' 69' ' ' LEU . 1.2 tt -57.72 -63.07 1.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.377 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.0 t -57.96 -41.2 82.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.74 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.0 tp -46.68 -57.01 5.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.819 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.9 mmm -79.44 -53.34 6.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.58 -39.46 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -71.68 -60.67 2.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.78 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 76' ' ' VAL . 63.1 mttp -72.73 107.81 5.38 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.658 ' O ' HG12 ' A' ' 76' ' ' VAL . 56.0 t -157.28 73.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.907 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -122.17 -99.17 0.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.469 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -176.38 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.413 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 0.4 OUTLIER 73.28 -8.56 1.3 Allowed 'General case' 0 CA--C 1.53 0.185 0 O-C-N 123.45 0.469 . . . . 0.0 110.409 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 79' ' ' THR . 73.2 m-20 -152.24 104.7 2.97 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 110.107 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.06 -55.28 11.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.037 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -52.33 -20.98 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.914 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -81.21 -51.89 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.722 ' N ' HH22 ' B' ' 38' ' ' ARG . 3.0 tm-20 -71.92 -39.22 69.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.816 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.9 -37.01 83.56 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.387 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -84.65 -43.89 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.06 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 91' ' ' VAL . 12.9 tm-20 -57.3 -45.74 83.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.082 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.97 -57.42 11.78 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.047 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -53.28 -40.71 64.91 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.47 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -58.07 -38.4 76.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 87' ' ' GLU . 88.2 t -73.78 -46.12 48.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.582 ' CE1' HG11 ' A' ' 108' ' ' VAL . 52.1 m-85 -63.46 -49.68 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.449 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' A' ' 96' ' ' GLN . 34.2 t0 -89.59 57.77 4.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.262 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -39.43 -56.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.228 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -66.14 -8.97 27.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 93' ' ' ASP . 27.6 mt-30 49.06 61.63 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.283 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.451 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 37.1 p-10 -103.45 -5.9 22.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.519 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 99' ' ' TYR . . . 96.8 -0.67 61.01 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 6.0 m-85 -141.05 146.01 36.6 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.722 0.296 . . . . 0.0 110.294 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 mt -95.23 113.91 30.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 p -85.4 145.6 27.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.278 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -48.51 -45.54 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.1 p -57.94 -43.68 86.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.9 0.381 . . . . 0.0 111.045 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.11 -43.88 90.6 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.117 0.484 . . . . 0.0 110.167 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.45 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 50.8 tp -73.23 -27.25 61.49 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 102' ' ' ALA . 53.8 ttp180 -63.02 -46.09 89.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.503 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.426 ' C ' ' N ' ' A' ' 109' ' ' MET . 27.6 t-80 -67.89 -56.99 7.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.003 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.582 HG11 ' CE1' ' A' ' 92' ' ' PHE . 77.6 t -48.76 -16.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.426 ' N ' ' C ' ' A' ' 107' ' ' HIS . 5.3 tpt -90.25 -78.48 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.869 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.494 ' C ' ' H ' ' A' ' 112' ' ' LEU . 17.4 tt -50.91 -36.94 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.257 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.449 ' N ' HG23 ' A' ' 110' ' ' ILE . 27.8 t-20 -52.04 -9.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.493 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.494 ' H ' ' C ' ' A' ' 110' ' ' ILE . 92.2 mt -104.81 7.46 34.54 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.75 59.91 1.94 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -149.09 120.68 8.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -97.69 99.64 11.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.376 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.629 ' N ' HD12 ' A' ' 116' ' ' LEU . 6.3 mp -89.32 171.18 9.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.241 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.508 ' H ' ' HB2' ' A' ' 120' ' ' GLU . 59.4 p -120.3 164.29 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.443 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 34.0 p-10 -48.8 -43.84 38.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.64 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.0 mt-10 -64.87 -45.07 87.55 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.804 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.508 ' HB2' ' H ' ' A' ' 117' ' ' THR . 97.3 mt-10 -65.73 -40.2 91.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.524 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.22 -42.33 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.362 0.601 . . . . 0.0 110.268 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 95.8 mt-10 -62.39 -60.25 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.401 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.29 -26.36 68.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.527 0.679 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.467 ' SD ' ' CD ' ' B' ' 22' ' ' ARG . 4.7 tpt -59.26 -52.03 67.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.778 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 126' ' ' LYS . 18.7 tt -93.42 -37.75 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 65.1 tttm -60.19 -28.72 68.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.961 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -68.95 -50.4 49.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.664 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.43 ' HB2' ' NE1' ' B' ' 23' ' ' TRP . . . -68.28 -40.02 81.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.173 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 64.5 t0 -63.84 104.52 0.7 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.492 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 52.3 mt -75.09 -28.04 60.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.741 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.441 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 13.9 m-20 -88.73 -1.67 58.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.381 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.23 27.66 24.46 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.532 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.7 p-10 -88.63 19.29 4.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.772 0.32 . . . . 0.0 110.397 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.0 16.57 57.6 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -147.72 152.84 38.46 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.121 0.486 . . . . 0.0 110.45 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.3 t -117.67 124.7 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.545 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.93 156.66 19.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.457 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.436 ' CE2' HG21 ' A' ' 142' ' ' VAL . 53.1 t80 -53.12 -40.22 64.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.265 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -58.42 -48.83 79.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 0.0 110.447 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 97.7 mt-10 -61.94 -37.26 84.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.461 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -61.81 -48.97 78.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.651 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.436 HG21 ' CE2' ' A' ' 138' ' ' TYR . 53.3 t -57.89 -46.4 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.314 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -63.65 -36.59 84.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.857 0.36 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.3 ttt -66.93 -33.64 76.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.599 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -20.99 37.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.48 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.8 mmt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.328 -179.799 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -68.86 -25.94 64.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.486 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -68.12 -54.02 21.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.579 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.467 ' CD ' ' SD ' ' A' ' 124' ' ' MET . 11.6 ptp180 -60.17 -39.45 86.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.81 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.45 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -56.59 -49.42 74.94 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 120.511 -0.476 . . . . 0.0 109.923 179.101 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -65.88 -36.63 83.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.789 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m -60.17 -42.41 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.931 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.535 ' O ' HG23 ' B' ' 30' ' ' VAL . 32.3 t -61.42 -43.56 98.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.02 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.43 -43.24 81.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.405 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.1 t -64.35 -45.05 89.48 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.481 ' CG2' HD22 ' A' ' 112' ' ' LEU . 71.0 mt -62.38 -41.33 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.909 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 26' ' ' SER . 19.3 t -59.42 -40.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -59.98 -43.35 95.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.046 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASN . . . . . 0.43 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 84.5 m-20 -65.28 -41.64 93.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.173 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' B' ' 34' ' ' ALA . 70.8 ttt180 -68.98 -45.16 71.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.477 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 35.31 74.37 0.07 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -67.69 -12.92 61.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.908 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.495 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 42.6 ttm180 -105.64 -8.07 18.13 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.158 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.495 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.8 OUTLIER 67.53 69.91 0.36 Allowed 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.055 0.455 . . . . 0.0 110.373 179.349 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.722 HH22 ' N ' ' A' ' 84' ' ' GLU . 62.5 mtp85 -52.91 -41.17 64.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.907 0.384 . . . . 0.0 110.515 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 8.3 tpt -65.99 -62.31 1.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.183 0.516 . . . . 0.0 111.38 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.92 -43.62 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.622 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 36.0 t -57.66 -42.24 83.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.21 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -64.19 -40.19 95.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.359 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.415 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 7' ' ' GLU . 3.5 m . . . . . 0 C--O 1.224 -0.269 0 CA-C-O 120.644 0.259 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 10' ' ' VAL . 95.9 mt-10 -52.28 -8.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.656 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' A' ' 7' ' ' GLU . 16.2 mp0 -67.84 -45.11 75.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.599 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.536 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 15.6 pt20 -53.37 -49.21 67.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.536 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 37.7 mm -62.42 -41.95 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.806 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 6' ' ' GLU . 24.4 t -58.35 -48.33 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.071 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.571 ' CG ' HH12 ' B' ' 33' ' ' ARG . 89.9 m-20 -52.31 -52.66 51.79 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.19 0.519 . . . . 0.0 110.039 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -62.54 -39.54 93.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.329 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -58.92 -42.73 90.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.144 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -57.52 -51.73 68.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.371 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.78 -43.48 69.3 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.389 0.614 . . . . 0.0 110.406 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -60.33 -45.35 93.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.231 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.18 -39.85 58.81 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.55 -43.11 99.63 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.525 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 22.9 m-85 -67.03 -40.83 87.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.732 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.472 ' OD2' ' O ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -89.78 74.29 7.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.898 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 15.8 pttp -58.65 -40.56 83.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.433 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.544 ' O ' ' C ' ' A' ' 23' ' ' GLY . 2.4 p30 -92.65 33.32 1.14 Allowed 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 17.43 66.67 0.01 OUTLIER Glycine 0 N--CA 1.465 0.621 0 O-C-N 123.344 0.402 . . . . 0.0 112.228 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 53.9 m-20 -92.32 -29.87 16.13 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.65 11.15 20.04 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.472 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 23.5 p -167.09 171.95 10.52 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.906 0.384 . . . . 0.0 110.53 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.1 mt -117.24 123.01 71.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.968 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.622 ' HA ' HG22 ' A' ' 62' ' ' THR . 0.2 OUTLIER -98.39 -167.64 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.018 0.437 . . . . 0.0 110.797 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.487 ' H ' HG22 ' A' ' 28' ' ' THR . 47.6 t -84.07 -45.63 18.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.583 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.54 -41.19 96.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.224 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 80.9 mt-10 -65.57 -49.34 69.21 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.064 0.459 . . . . 0.0 110.216 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 52' ' ' ILE . 5.9 tp -60.97 -38.83 87.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.969 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.14 94.25 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.122 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -56.87 -48.87 77.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.312 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.434 ' O ' ' OG ' ' A' ' 38' ' ' SER . 91.4 t -61.78 -45.57 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.383 . . . . 0.0 110.453 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.3 -44.28 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.748 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 82.0 mtp180 -62.42 -37.77 87.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.767 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.66 ' C ' ' H ' ' A' ' 40' ' ' ASP . 78.6 p -66.33 -30.58 71.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.359 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.55 14.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.802 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.66 ' H ' ' C ' ' A' ' 38' ' ' SER . 1.4 m-20 70.59 44.11 0.7 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 13.7 tp60 -146.85 158.17 43.85 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.717 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -136.56 71.41 58.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.902 0.382 . . . . 0.0 110.05 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -78.51 154.21 27.43 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.766 2.311 . . . . 0.0 112.516 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.561 HG22 ' H ' ' A' ' 46' ' ' GLU . 89.5 m -68.28 135.58 52.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.518 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -54.99 -39.6 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.496 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.561 ' H ' HG22 ' A' ' 44' ' ' THR . 71.8 mm-40 -48.95 -41.4 33.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.828 0.347 . . . . 0.0 110.335 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.38 -32.61 74.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 48' ' ' LEU . 10.3 mp -72.61 -44.44 61.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.787 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.81 -36.59 83.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.412 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.48 -49.53 66.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.636 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.2 ttp -65.88 -43.04 89.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.648 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.77 HD11 HD22 ' A' ' 32' ' ' LEU . 12.4 mm -66.22 -43.23 91.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.38 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -68.01 -35.4 78.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.879 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.91 -40.17 75.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.936 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.522 ' O ' HG12 ' A' ' 55' ' ' VAL . 62.0 t -93.7 -5.98 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.216 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 44.8 t0 -77.79 98.11 5.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.57 2.07 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 26.5 p30 -129.02 12.8 6.2 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.785 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 41.37 47.57 4.59 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 62' ' ' THR . 41.2 p-10 -108.68 12.56 25.73 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 43.75 17.59 0.06 OUTLIER Glycine 0 N--CA 1.461 0.353 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.622 HG22 ' HA ' ' A' ' 28' ' ' THR . 10.8 p -137.53 138.65 39.85 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 111.094 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.68 HD11 HD13 ' A' ' 52' ' ' ILE . 83.0 mt -97.21 124.12 49.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.625 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -86.57 168.1 13.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.339 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -53.32 -47.29 69.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.486 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -59.38 -39.35 83.04 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 120.946 0.403 . . . . 0.0 110.397 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -73.28 -47.25 44.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.567 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -57.51 -44.65 85.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.001 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.8 tt -58.17 -57.59 12.17 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.998 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.1 m -60.17 -41.7 93.4 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.2 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.8 tt -49.14 -57.99 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.635 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mmt -69.84 -42.84 73.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.179 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.99 90.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.675 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -74.71 -61.19 1.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -77.81 124.25 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.028 0.442 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 77' ' ' LYS . 11.1 t -141.65 -123.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.321 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.518 ' N ' HG12 ' A' ' 76' ' ' VAL . 31.8 ttpt -33.61 146.83 0.02 OUTLIER 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.191 0.307 . . . . 0.0 110.577 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.499 ' O ' ' OG1' ' A' ' 79' ' ' THR . 96.2 m-20 -130.07 22.13 5.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.455 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.508 ' H ' ' HG2' ' A' ' 77' ' ' LYS . 16.9 p 60.05 66.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.332 0.395 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -151.62 107.49 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.56 -55.28 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -53.1 -23.2 7.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.45 ' OE2' ' ND2' ' B' ' 42' ' ' ASN . 45.3 tt0 -81.29 -53.5 6.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.071 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.491 ' CD ' ' NZ ' ' B' ' 31' ' ' LYS . 85.5 tt0 -71.48 -35.05 70.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.393 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.59 -41.22 88.85 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.447 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -84.18 -46.59 11.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.221 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 91' ' ' VAL . 84.0 tt0 -58.93 -42.29 89.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.069 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.13 -56.39 15.2 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.15 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -57.0 -41.2 78.03 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.29 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.82 -36.55 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.284 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 87' ' ' GLU . 90.5 t -74.09 -54.42 14.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.768 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 5.9 m-30 -55.71 -47.38 76.95 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 96' ' ' GLN . 37.8 t0 -85.48 62.46 7.49 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.261 0.35 . . . . 0.0 110.507 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -40.61 -59.2 1.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.83 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 19.9 p-10 -63.05 -3.98 2.02 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.564 ' N ' ' O ' ' A' ' 93' ' ' ASP . 8.3 pt20 35.72 59.02 0.87 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.665 0.603 . . . . 0.0 110.721 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -100.06 3.63 44.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.21 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.22 0.25 63.45 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.423 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 4.8 m-85 -143.24 148.5 36.52 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.804 0.335 . . . . 0.0 110.402 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.5 mt -97.56 115.31 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.115 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 p -87.07 153.89 21.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.389 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.46 -44.55 89.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.719 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.3 t -61.56 -45.36 94.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -59.98 -53.06 62.25 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.175 0.512 . . . . 0.0 110.401 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.77 -20.61 65.9 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.347 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.48 ' O ' HG22 ' A' ' 110' ' ' ILE . 61.7 ttp180 -82.14 -44.0 17.04 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.579 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 4.0 m80 -54.33 -51.97 63.03 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 109' ' ' MET . 15.4 t -62.4 -63.94 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.951 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 108' ' ' VAL . 6.7 tpt -31.37 -75.59 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.737 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.516 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.668 HG23 ' N ' ' A' ' 111' ' ' ASN . 19.7 tt -47.19 -50.62 6.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.629 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.668 ' N ' HG23 ' A' ' 110' ' ' ILE . 91.2 m-20 -47.15 -8.7 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.007 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' A' ' 110' ' ' ILE . 90.4 mt -91.61 11.98 22.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 91.99 -46.3 2.68 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -53.35 124.05 13.64 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.993 0.425 . . . . 0.0 110.297 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -98.83 103.04 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 110.468 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 mt -116.06 130.54 56.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.7 p -64.51 168.18 6.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.438 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 46.4 p-10 -66.7 -23.76 66.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.516 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.418 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.2 mt-10 -68.52 -48.43 64.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.706 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.9 -44.36 85.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.618 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.2 t -62.69 -47.87 90.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -62.86 -35.0 78.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.524 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -59.43 -54.14 50.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.618 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.49 ' C ' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -54.46 -39.73 67.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.691 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.44 ' N ' ' HG3' ' A' ' 124' ' ' MET . 2.4 mm -61.78 -41.42 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.387 -176.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -63.53 -33.56 75.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.146 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -75.93 -53.21 8.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.536 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -62.21 -37.54 85.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.398 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 56.9 t0 -74.97 105.55 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.08 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.526 ' N ' HD12 ' A' ' 130' ' ' LEU . 10.6 mp -66.34 -39.89 89.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.816 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 11.7 m-20 -86.36 1.58 50.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.376 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 49.4 34.76 19.72 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.528 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 15.1 p-10 -96.7 20.41 10.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.745 0.307 . . . . 0.0 110.327 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.519 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 59.84 19.89 51.26 Favored Glycine 0 C--N 1.332 0.313 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -145.15 145.62 31.44 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.909 0.385 . . . . 0.0 110.466 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.3 t -123.54 126.33 72.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.684 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.416 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 11.5 t-20 -88.11 158.61 18.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.628 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -51.9 -41.92 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.233 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -60.37 -49.79 76.2 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.948 0.404 . . . . 0.0 110.393 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 93.2 mt-10 -60.71 -38.63 85.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.41 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -60.88 -47.32 86.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.733 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.9 t -57.88 -47.02 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.347 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -65.16 -36.52 84.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 111.08 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.429 ' C ' ' SD ' ' A' ' 144' ' ' MET . 1.0 OUTLIER -69.28 -35.25 75.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.538 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.7 ttm -75.96 -24.22 55.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.85 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 81.8 mmm . . . . . 0 C--O 1.203 -1.354 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.903 -179.585 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.0 ptt-85 -63.26 -36.15 82.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -65.14 -44.71 87.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.556 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -60.54 -42.98 97.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.288 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.536 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 1.5 m95 -62.27 -50.32 72.16 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.194 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -65.95 -35.02 79.45 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.058 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.0 t -61.23 -44.56 97.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.046 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.451 ' O ' HG23 ' B' ' 30' ' ' VAL . 61.7 m -59.26 -45.2 91.85 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.306 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -68.4 -42.74 84.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -61.08 -42.03 97.74 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.666 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.4 ' CG2' HD22 ' A' ' 112' ' ' LEU . 72.7 mt -61.66 -42.09 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.192 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 34' ' ' ALA . 55.5 t -58.52 -42.55 84.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.787 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.491 ' NZ ' ' CD ' ' A' ' 84' ' ' GLU . 23.8 mttp -60.12 -45.59 92.48 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.158 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -70.01 -32.84 71.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.131 0.491 . . . . 0.0 110.063 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.571 HH12 ' CG ' ' A' ' 11' ' ' ASP . 34.7 ttm-85 -101.8 16.12 26.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.564 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 30' ' ' VAL . . . -36.38 91.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.999 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' B' ' 33' ' ' ARG . 58.4 ttp180 -74.09 -16.12 61.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.167 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.484 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 53.7 ttm-85 -94.49 -4.31 48.37 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.062 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.484 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.2 OUTLIER 61.28 67.73 0.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.291 0.567 . . . . 0.0 110.23 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 21.9 mtp-105 -52.94 -42.31 65.3 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.534 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.0 tpt -64.63 -62.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.424 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 97.4 mt -62.92 -43.89 99.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.697 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 93.2 p -57.13 -46.07 82.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.111 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.45 ' ND2' ' OE2' ' A' ' 83' ' ' GLU . 99.1 m-20 -65.56 -41.15 93.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 110.656 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.453 HD23 ' C ' ' B' ' 43' ' ' LEU . 1.8 tt . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.388 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.487 ' C ' ' H ' ' A' ' 7' ' ' GLU . 34.1 t . . . . . 0 C--O 1.226 -0.177 0 CA-C-O 120.667 0.27 . . . . 0.0 110.613 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.586 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 49.0 mp0 -50.42 -9.78 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.704 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 5' ' ' SER . 73.2 mm-40 -69.72 -49.85 49.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.706 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.513 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 14.8 pt20 -49.86 -45.92 50.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.015 0.436 . . . . 0.0 110.028 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.513 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 36.6 mm -65.32 -43.15 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.274 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 6' ' ' GLU . 18.3 t -57.87 -47.01 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -57.25 -53.84 53.54 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.159 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -59.5 -43.49 93.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.905 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.74 -39.93 93.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.457 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -58.19 -51.54 69.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.317 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.43 82.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.386 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.79 -49.54 77.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.407 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.71 -34.52 70.73 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.558 ' O ' HD23 ' A' ' 18' ' ' LEU . 5.6 tt -62.95 -52.21 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.221 0.534 . . . . 0.0 110.713 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.464 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 6.9 m-85 -55.14 -32.82 62.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.46 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -102.98 81.95 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' A' ' 21' ' ' LYS . 5.3 mtmp? -62.44 -17.06 58.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.274 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 24' ' ' ASP . 45.3 p-10 -114.02 33.05 5.46 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.639 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.78 53.54 0.01 OUTLIER Glycine 0 N--CA 1.475 1.296 0 O-C-N 124.278 0.986 . . . . 0.0 111.582 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 52.3 p-10 -76.5 -28.06 56.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.391 . . . . 0.0 110.471 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 110.53 8.19 25.1 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.1 p -162.91 166.31 24.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.822 0.344 . . . . 0.0 110.382 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 mt -112.48 114.36 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.961 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.56 ' HA ' HG22 ' A' ' 62' ' ' THR . 26.1 m -91.87 151.95 20.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.89 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 t -50.64 -44.88 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.737 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.82 -51.89 65.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.52 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -55.45 -43.36 75.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.178 0.513 . . . . 0.0 109.86 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD22 HD11 ' A' ' 52' ' ' ILE . 5.9 tp -63.61 -35.54 80.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.275 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.53 87.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.0 m -59.24 -46.11 89.37 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.233 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.4 t -60.15 -46.01 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 40' ' ' ASP . 82.8 mt -60.45 -41.7 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.82 0.343 . . . . 0.0 110.218 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.529 ' O ' ' O ' ' A' ' 40' ' ' ASP . 71.9 ttp85 -57.94 -35.97 71.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.232 0.539 . . . . 0.0 109.808 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 p -66.44 -38.51 87.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.28 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 pp -103.9 6.75 36.62 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.06 0.457 . . . . 0.0 111.106 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ILE . 14.9 t70 -163.56 174.56 11.64 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 121.18 0.514 . . . . 0.0 110.732 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.92 -94.35 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.602 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 43' ' ' PRO . 9.7 p30 -178.43 83.4 0.22 Allowed Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 42' ' ' ASN . 53.2 Cg_exo -54.41 -153.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.741 2.294 . . . . 0.0 111.802 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.5 t -107.98 145.02 34.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.291 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -58.38 -19.08 32.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.726 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -65.39 -47.34 76.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.465 ' H ' HG23 ' A' ' 44' ' ' THR . 1.6 mp0 -67.01 -28.5 68.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.047 0.451 . . . . 0.0 110.624 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.3 mt -78.76 -53.62 6.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -66.19 -28.83 69.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.228 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -68.29 -53.58 23.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.5 mtp -57.25 -46.49 82.98 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.779 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.529 HG13 HD11 ' A' ' 63' ' ' ILE . 1.5 mp -69.01 -30.64 47.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 t -72.11 -44.08 63.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 123.426 0.454 . . . . 0.0 110.996 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -58.56 -38.33 77.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 t -112.51 50.96 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -105.64 108.34 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . . . -88.29 -16.92 31.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.242 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.449 ' OD2' ' OE2' ' A' ' 67' ' ' GLU . 4.2 m-20 -120.61 16.4 11.99 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.628 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.74 34.95 0.05 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.467 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 42.7 p-10 -101.77 11.06 39.37 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-O 120.53 0.205 . . . . 0.0 110.706 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.98 20.01 47.26 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 28' ' ' THR . 66.1 p -137.17 158.11 45.17 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.548 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.529 HD11 HG13 ' A' ' 52' ' ' ILE . 71.4 mt -105.8 129.73 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.216 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' GLU . 42.8 tt0 -95.5 156.09 16.47 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.182 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -42.49 -49.89 5.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 110.685 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -62.02 -36.2 80.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.852 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' OE2' ' HB3' ' A' ' 57' ' ' ALA . 95.4 mt-10 -72.54 -44.77 61.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.398 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.27 -42.7 99.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.797 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.476 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -59.96 -58.49 8.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.545 -179.14 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 36.3 t -63.35 -39.98 96.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.15 0.5 . . . . 0.0 110.47 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tt -56.46 -43.62 79.74 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.747 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -61.32 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.303 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -51.55 -47.89 63.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.181 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 70' ' ' SER . 51.2 tttm -65.55 9.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.725 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 73' ' ' ALA . 52.4 mtmt -147.84 52.66 1.04 Allowed 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.992 -0.443 . . . . 0.0 110.718 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 78' ' ' ASP . 39.1 t -138.58 -70.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.482 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 76' ' ' VAL . 16.2 pttt 31.0 -90.93 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 O-C-N 124.002 0.814 . . . . 0.0 110.418 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -127.84 -50.02 1.35 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.881 179.656 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.7 m 68.93 -62.17 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.37 0.419 . . . . 0.0 110.548 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -173.03 141.78 1.0 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.53 -54.29 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.775 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -56.94 -20.61 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.11 0.481 . . . . 0.0 110.485 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -81.51 -53.44 6.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.148 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -71.43 -36.19 71.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.109 0.481 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.88 -37.29 78.94 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.128 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -82.85 -40.73 19.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.087 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 91' ' ' VAL . 49.6 tp10 -62.3 -40.81 97.52 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.216 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -66.16 -58.09 6.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.03 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -54.3 -41.49 69.0 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.253 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -58.46 -35.71 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.491 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 87' ' ' GLU . 64.4 t -74.88 -51.66 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.937 0.399 . . . . 0.0 111.011 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 5.9 m-85 -59.21 -46.92 87.17 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.214 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 96' ' ' GLN . 35.7 t0 -84.83 63.22 7.91 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.172 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -42.38 -58.56 2.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.843 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -66.83 -2.57 5.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.968 0.413 . . . . 0.0 110.937 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 93' ' ' ASP . 33.8 mt-30 42.17 42.24 2.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.65 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 41.0 p-10 -80.1 -2.24 43.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.736 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.5 -3.36 65.8 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.414 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 2.8 m-85 -139.74 146.22 39.27 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.5 mt -95.29 116.86 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.8 p -87.11 153.34 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.248 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.58 -44.99 81.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 68.7 m -59.47 -42.72 92.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.715 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.19 -50.85 64.34 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.095 0.474 . . . . 0.0 110.35 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.483 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 48.6 tp -67.78 -25.89 65.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.351 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.512 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.5 ttm180 -78.41 -45.39 22.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.248 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 103' ' ' SER . 42.3 m-70 -55.33 -49.25 72.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.811 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.571 ' O ' ' N ' ' A' ' 112' ' ' LEU . 48.7 t -61.76 -63.9 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.968 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -33.34 -75.39 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.56 0.538 . . . . 0.0 111.105 -179.482 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.616 HG23 ' N ' ' A' ' 111' ' ' ASN . 19.8 tt -49.79 -47.74 22.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.521 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.616 ' N ' HG23 ' A' ' 110' ' ' ILE . 58.2 t30 -65.75 -13.69 59.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.248 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' A' ' 108' ' ' VAL . 14.1 tp -84.08 -123.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.336 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -129.27 40.25 1.72 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -161.3 122.2 2.79 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -96.28 102.62 14.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.454 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.6 mt -106.51 129.3 54.49 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.178 0.513 . . . . 0.0 110.441 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.0 p -66.03 174.13 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.347 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.54 -33.25 75.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.48 -46.93 68.39 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.657 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.8 -43.88 97.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.103 0.478 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.512 HG11 ' HE ' ' A' ' 106' ' ' ARG . 76.5 t -64.29 -45.4 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.159 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 126' ' ' LYS . 37.3 tp10 -62.83 -23.11 67.12 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.203 0.525 . . . . 0.0 110.086 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -74.45 -57.21 4.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.457 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 19.9 ttp -55.92 -48.81 75.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.297 -178.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 126' ' ' LYS . 9.7 tp -60.23 -41.54 87.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.117 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.45 ' N ' HG23 ' A' ' 125' ' ' ILE . 24.1 mmtp -65.32 -40.28 93.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -72.0 -47.48 51.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.488 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -62.39 -36.08 81.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.468 ' OD2' ' OD1' ' A' ' 133' ' ' ASP . 52.8 t0 -75.9 104.3 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.52 ' CD1' ' HZ1' ' A' ' 143' ' ' LYS . 95.4 mt -72.79 -32.37 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.011 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 5.5 p30 -97.26 -0.86 45.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.691 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 50.8 32.79 26.48 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.468 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 36.6 p-10 -70.84 -13.44 62.04 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.526 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.74 -1.26 52.38 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -152.72 132.73 13.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.2 t -79.92 126.69 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.158 0.504 . . . . 0.0 110.413 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 2.3 m-20 -88.82 155.09 19.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.387 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -50.96 -41.5 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.231 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.04 -48.61 79.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.929 0.395 . . . . 0.0 110.328 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.78 -37.45 87.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.063 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.87 -48.14 82.91 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.103 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.35 -47.19 88.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.004 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.52 ' HZ1' ' CD1' ' A' ' 130' ' ' LEU . 7.8 mtpm? -64.42 -30.68 71.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.273 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.488 ' O ' ' SD ' ' A' ' 144' ' ' MET . 1.4 tmt? -71.9 -26.81 62.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.483 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 146' ' ' MET . 0.7 OUTLIER -87.37 -19.67 27.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.641 -179.459 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 145' ' ' MET . 14.4 mtt . . . . . 0 CA--C 1.539 0.549 0 CA-C-O 121.402 0.62 . . . . 0.0 110.883 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -61.3 -42.53 98.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.468 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -63.59 -38.88 92.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.542 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -61.87 -46.02 91.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.488 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 5.0 m95 -64.47 -47.31 79.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.977 0.418 . . . . 0.0 109.92 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -64.31 -38.39 90.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.785 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.9 t -61.07 -44.8 96.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.134 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.594 ' O ' HG23 ' B' ' 30' ' ' VAL . 60.3 p -59.34 -44.19 92.67 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.436 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.97 -44.33 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.726 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.3 m -66.16 -40.51 90.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.348 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.43 -41.95 93.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.05 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 26' ' ' SER . 42.4 t -60.06 -46.62 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.713 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.71 -27.18 63.78 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.818 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -80.34 -33.03 37.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.392 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.469 ' NH1' ' C ' ' A' ' 112' ' ' LEU . 76.9 mtp180 -85.13 -49.63 8.09 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.23 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' B' ' 36' ' ' ARG . . . 36.2 56.46 1.04 Allowed 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 120.81 0.338 . . . . 0.0 110.8 -179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -53.09 -12.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.25 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.428 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 90.4 mtm-85 -108.9 -7.79 15.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.72 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.464 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 64.35 51.23 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.259 179.567 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.539 ' O ' ' ND2' ' B' ' 42' ' ' ASN . 18.9 ptt180 -39.06 -33.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' MET . . . . . 0.478 ' O ' ' N ' ' B' ' 43' ' ' LEU . 5.1 ttp -72.36 -64.68 0.9 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.46 -42.72 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.372 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -56.99 -43.21 81.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.235 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' B' ' 38' ' ' ARG . 77.7 m-20 -93.77 -4.12 50.87 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.752 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.594 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.308 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 7' ' ' GLU . 2.6 m . . . . . 0 C--O 1.232 0.149 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.0 mt-10 -41.3 -25.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.788 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 8' ' ' GLN . 11.6 pt-20 -62.2 -49.84 74.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.407 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.531 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 15.4 mm100 -51.12 -52.83 39.98 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -59.36 -42.62 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.448 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 6' ' ' GLU . 29.2 t -59.33 -50.65 79.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.098 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -53.89 -48.31 70.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -65.95 -43.32 88.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -56.71 -43.07 80.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.652 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.89 -50.45 68.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.683 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.38 -42.57 67.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.14 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -59.15 -47.09 86.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.216 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.98 -39.39 56.89 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.74 -43.03 94.69 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -68.79 -43.07 76.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.373 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 40.2 t0 -88.08 75.92 8.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.751 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.51 -42.27 82.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.917 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' GLY . 48.2 p-10 -90.59 36.73 0.9 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.783 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.26 65.49 0.01 OUTLIER Glycine 0 C--N 1.345 1.034 0 O-C-N 124.277 0.985 . . . . 0.0 112.174 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 52.6 p-10 -93.99 -21.8 18.95 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 114.64 -27.47 8.78 Favored Glycine 0 N--CA 1.467 0.718 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.6 m -136.92 131.57 33.25 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.3 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.1 mt -75.45 133.44 31.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -99.59 152.99 19.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.7 t -49.86 -44.68 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.971 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -60.12 -55.19 36.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.283 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -51.87 -40.87 61.32 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.35 -41.4 98.86 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.497 0.665 . . . . 0.0 110.169 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.0 96.28 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.079 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.2 m -57.61 -44.47 85.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.013 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.55 -47.02 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.513 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.402 ' CD1' HD12 ' A' ' 32' ' ' LEU . 72.6 mt -64.65 -44.4 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -62.14 -39.27 92.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.659 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.57 ' C ' ' H ' ' A' ' 40' ' ' ASP . 53.0 p -69.17 -29.43 67.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.427 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.62 18.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.77 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.57 ' H ' ' C ' ' A' ' 38' ' ' SER . 3.9 m-20 70.11 62.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.988 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -165.86 162.12 18.16 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.746 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -144.71 62.97 10.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.826 0.346 . . . . 0.0 110.397 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -75.54 157.46 40.52 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 123.065 2.51 . . . . 0.0 111.934 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 47' ' ' GLU . 15.0 t -69.63 138.89 53.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.744 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' A' ' 48' ' ' LEU . 72.1 tt0 -56.39 -44.06 79.86 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.429 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -39.75 -45.22 1.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.799 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.518 ' H ' HG23 ' A' ' 44' ' ' THR . 96.1 mt-10 -68.42 -31.41 70.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.739 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 45' ' ' GLU . 48.6 mt -76.32 -46.13 29.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -64.68 -37.27 87.0 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.787 0.327 . . . . 0.0 110.72 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 54' ' ' GLU . 30.3 t70 -70.33 -52.24 24.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.2 ttp -57.56 -41.45 81.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.868 0.366 . . . . 0.0 110.695 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.422 HD13 HD11 ' A' ' 63' ' ' ILE . 9.0 mm -64.0 -41.89 93.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.3 m -87.38 -13.07 44.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.402 0.439 . . . . 0.0 110.764 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' ASP . 84.5 tt0 -57.91 -43.35 86.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.693 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.626 HG21 HD21 ' A' ' 71' ' ' LEU . 47.1 t -95.23 -38.39 8.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 20.6 t70 -39.58 106.34 0.05 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.207 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.17 6.31 33.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.726 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.9 p30 -129.14 14.22 6.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.181 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.489 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 32.74 40.38 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.519 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 12.1 m120 -78.99 -33.63 44.86 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.83 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.03 -5.91 58.07 Favored Glycine 0 N--CA 1.468 0.813 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.6 p -137.22 138.26 39.96 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.655 0.264 . . . . 0.0 110.357 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.422 HD11 HD13 ' A' ' 52' ' ' ILE . 82.2 mt -87.3 124.28 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.748 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -85.62 162.27 18.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.096 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -49.74 -48.06 50.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.434 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.36 -38.34 83.54 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.895 0.378 . . . . 0.0 110.212 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' OE2' ' OD2' ' A' ' 58' ' ' ASP . 96.8 mt-10 -72.46 -46.59 54.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -57.87 -44.74 86.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.933 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 69' ' ' LEU . 3.2 tt -58.21 -54.65 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.173 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -59.0 -41.64 88.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.186 0.517 . . . . 0.0 110.318 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.626 HD21 HG21 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -51.24 -58.34 6.43 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.318 -178.647 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -41.52 70.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.728 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.41 78.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.867 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -70.8 -60.07 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.305 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 76' ' ' VAL . 27.9 mtmt -76.4 111.02 11.41 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 78' ' ' ASP . 23.8 t -155.91 -67.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.846 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' VAL . 65.1 tttm 33.45 -90.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.735 0.647 . . . . 0.0 110.99 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 80' ' ' ASP . 20.0 t0 -163.58 -19.13 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.523 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.517 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 4.7 p 63.12 -66.48 0.09 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.266 0.354 . . . . 0.0 110.595 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 78' ' ' ASP . 51.3 m-20 -162.17 142.37 10.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.669 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.66 -57.55 9.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -51.85 -20.91 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.05 0.452 . . . . 0.0 111.035 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -81.97 -54.2 5.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.39 -38.28 81.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.021 0.439 . . . . 0.0 110.646 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.82 -36.69 80.82 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.181 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -83.06 -45.21 14.29 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.302 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 91' ' ' VAL . 67.9 mm-40 -59.79 -39.83 86.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.204 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -58.85 4.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 33.2 t80 -54.97 -38.88 68.36 Favored 'General case' 0 CA--C 1.527 0.096 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -60.88 -39.05 87.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.255 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 87' ' ' GLU . 70.2 t -74.01 -53.52 17.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.522 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -60.19 -48.5 81.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.927 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 96' ' ' GLN . 7.7 t0 -79.34 56.11 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -39.97 -60.65 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.613 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 6.3 p-10 -66.47 -6.59 15.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.091 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 93' ' ' ASP . 70.9 mt-30 46.12 57.96 4.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.475 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -96.64 -1.75 46.11 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.412 ' O ' ' OD1' ' A' ' 137' ' ' ASN . . . 91.63 3.23 69.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -144.06 148.63 35.43 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 122.681 -0.305 . . . . 0.0 110.392 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.3 mt -97.81 116.75 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 m -88.56 147.56 24.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.327 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.01 -45.42 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.9 t -59.9 -41.71 92.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.993 0.425 . . . . 0.0 110.547 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.42 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 83.5 mt-10 -63.72 -53.94 43.21 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.105 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.561 HD22 ' CH2' ' B' ' 23' ' ' TRP . 51.1 tp -67.6 -22.83 65.34 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.764 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.509 ' O ' HG22 ' A' ' 110' ' ' ILE . 62.9 ttp180 -83.38 -39.98 19.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.63 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -59.01 -47.07 86.54 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 109' ' ' MET . 61.7 t -63.43 -61.91 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.13 0 N-CA-C 109.128 -0.694 . . . . 0.0 109.128 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.9 OUTLIER -32.17 -74.92 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.388 0.43 . . . . 0.0 110.746 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.622 HG23 ' N ' ' A' ' 111' ' ' ASN . 15.1 tt -47.23 -49.35 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.713 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.622 ' N ' HG23 ' A' ' 110' ' ' ILE . 7.7 m120 -57.88 -10.39 1.72 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.323 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.6 mp -110.37 6.99 22.73 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.733 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.63 68.33 1.34 Allowed Glycine 0 CA--C 1.52 0.357 0 N-CA-C 111.324 -0.711 . . . . 0.0 111.324 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.447 ' CD ' ' SD ' ' A' ' 109' ' ' MET . 1.7 mt-10 -167.81 107.85 0.56 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.768 0.318 . . . . 0.0 110.398 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -101.58 100.55 10.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.971 0.415 . . . . 0.0 110.634 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.553 ' N ' HD12 ' A' ' 116' ' ' LEU . 10.4 mp -94.37 135.56 35.65 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.8 p -76.38 165.29 25.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.463 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -46.8 -53.51 11.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.637 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' ' 119' ' ' GLU . 56.8 mp0 -58.81 -41.42 86.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.836 0.351 . . . . 0.0 110.443 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -65.46 -40.05 92.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.708 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.07 -42.46 93.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.07 0.462 . . . . 0.0 110.087 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 82.3 tt0 -61.94 -60.7 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.423 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.67 -28.02 68.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.402 0.62 . . . . 0.0 110.528 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.4 tpt -60.73 -52.51 64.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.995 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.5 tt -91.27 -34.22 6.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.177 0.513 . . . . 0.0 111.274 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 87.6 tttt -63.1 -22.9 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.029 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -72.3 -52.73 14.95 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.308 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.489 ' HB2' ' NE1' ' B' ' 23' ' ' TRP . . . -58.05 -37.26 74.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.179 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.452 ' OD1' ' OE1' ' A' ' 140' ' ' GLU . 11.5 m-20 -81.83 104.24 12.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 130' ' ' LEU . 10.3 mp -64.62 -41.72 96.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.153 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -89.54 -3.64 58.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.366 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . 78.43 -144.31 28.0 Favored Glycine 0 CA--C 1.495 -1.206 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 132' ' ' GLY . 13.0 m-20 94.8 1.88 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 O-C-N 125.013 1.067 . . . . 0.0 111.045 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.57 16.49 29.71 Favored Glycine 0 C--N 1.331 0.283 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.41 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 23.4 mt-30 -143.59 137.53 28.43 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.094 0.473 . . . . 0.0 110.511 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.6 t -109.64 122.04 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.643 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 98' ' ' GLY . 58.9 t30 -84.57 157.54 21.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.533 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -48.49 -45.41 36.86 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.322 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.98 -45.63 94.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.139 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.452 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 96.1 mt-10 -64.18 -38.2 90.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.164 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -62.43 -48.05 81.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 146' ' ' MET . 53.8 t -58.41 -46.05 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.362 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.26 -36.47 82.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.815 0.341 . . . . 0.0 111.026 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.48 ' O ' ' SD ' ' A' ' 144' ' ' MET . 6.5 tpt -68.91 -38.12 79.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.239 0.542 . . . . 0.0 111.266 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 146' ' ' MET . 94.2 mmm -88.1 -27.11 22.14 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.096 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 142' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.501 0 O-C-N 124.171 0.919 . . . . 0.0 111.259 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -63.7 -40.6 97.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -68.59 -38.63 80.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.474 -179.787 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.52 ' N ' ' OE1' ' B' ' 21' ' ' GLN . 15.7 tpp180 -61.06 -44.24 97.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.383 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.561 ' CH2' HD22 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -62.62 -49.02 76.85 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.139 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -65.94 -38.25 88.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.778 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 68.6 m -59.46 -43.05 93.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.822 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.57 ' O ' HG23 ' B' ' 30' ' ' VAL . 7.1 p -61.19 -48.16 82.82 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.465 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.8 -37.28 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.042 0.449 . . . . 0.0 110.244 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.443 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 39.5 t -63.56 -42.78 98.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.153 0.501 . . . . 0.0 110.345 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.69 -27.39 35.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.487 -0.485 . . . . 0.0 109.868 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 26' ' ' SER . 43.7 t -69.26 -44.3 80.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.513 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' B' ' 28' ' ' SER . 27.0 pttt -63.22 -36.93 85.28 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.1 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASN . . . . . 0.403 ' N ' ' HG2' ' B' ' 31' ' ' LYS . 86.5 m-20 -77.67 -33.68 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.846 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' B' ' 34' ' ' ALA . 72.7 ttt-85 -72.19 -46.66 55.38 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.846 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 23.81 79.81 0.02 OUTLIER 'General case' 0 C--N 1.347 0.476 0 O-C-N 123.996 0.81 . . . . 0.0 111.291 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.435 HH11 HH22 ' B' ' 33' ' ' ARG . 49.1 ttp180 -77.45 -10.94 59.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.052 -178.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.487 ' O ' ' OG ' ' B' ' 41' ' ' SER . 22.5 mtp180 -107.53 -1.36 21.4 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.454 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.2 OUTLIER 59.96 67.35 0.87 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.226 0.536 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -55.93 -36.14 67.41 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.434 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 63.1 mmm -66.45 -62.28 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.406 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 81.3 mt -62.82 -43.63 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.785 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' B' ' 36' ' ' ARG . 69.9 m -55.18 -43.76 74.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.24 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -64.15 -40.31 95.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.351 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.406 ' OXT' ' O ' ' B' ' 40' ' ' ILE . 44.3 mt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.248 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.778 0.323 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 10' ' ' VAL . 97.2 mt-10 -58.31 -37.08 74.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.445 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -50.7 -60.5 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.441 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 83.2 mm-40 -46.07 -36.2 5.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.042 0.448 . . . . 0.0 110.559 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.9 mt -77.75 -33.27 18.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.537 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 6' ' ' GLU . 47.0 t -65.08 -50.63 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.369 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -66.58 -42.0 87.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 110.05 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -63.03 -42.27 99.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.574 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -64.65 -33.8 76.78 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.259 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.24 -47.21 85.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.8 -36.79 84.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.142 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.51 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 35.9 t80 -59.87 -49.53 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.88 -33.12 82.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt -65.62 -49.19 69.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.941 0.4 . . . . 0.0 110.879 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CE1' HG11 ' A' ' 35' ' ' VAL . 4.0 m-85 -65.07 -32.82 74.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.42 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.51 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 58.6 m-20 -94.09 86.43 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.58 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -67.12 -37.16 83.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.785 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.2 OUTLIER -103.01 28.31 6.35 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.118 -178.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 25.95 51.88 0.06 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.625 ' C ' ' H ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -78.68 36.49 0.26 Allowed 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.401 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 23' ' ' GLY . . . 57.98 -6.28 0.04 OUTLIER Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.625 ' H ' ' C ' ' A' ' 24' ' ' ASP . 2.6 p -166.26 173.74 9.83 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.9 mt -103.86 116.2 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.896 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -89.22 154.75 19.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.674 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.8 t -45.69 -47.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.403 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.32 -53.82 53.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.757 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 95.0 mt-10 -50.6 -46.1 57.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.044 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.01 -42.47 99.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.55 -50.84 70.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.651 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -56.69 -47.37 80.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.43 HG11 ' CE1' ' A' ' 19' ' ' PHE . 71.8 t -61.33 -43.4 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.623 ' O ' ' N ' ' A' ' 40' ' ' ASP . 74.7 mt -60.88 -42.12 91.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.106 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.574 ' O ' ' O ' ' A' ' 40' ' ' ASP . 61.4 ttp180 -59.96 -34.53 73.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.146 0.498 . . . . 0.0 109.936 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.1 p -72.93 -43.34 62.48 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.094 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 39' ' ' LEU . 5.8 tt -93.73 4.04 54.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.431 0.634 . . . . 0.0 110.686 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.623 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.9 t70 -159.17 170.31 22.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.216 0.531 . . . . 0.0 110.594 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.82 -90.23 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.101 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -174.55 100.13 0.28 Allowed Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.317 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -78.99 -155.43 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.771 2.314 . . . . 0.0 111.275 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 46' ' ' GLU . 1.8 m -108.31 149.48 28.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.64 -44.02 97.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.98 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' N ' HG22 ' A' ' 44' ' ' THR . 80.7 mm-40 -64.91 -31.83 73.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.83 0.348 . . . . 0.0 110.655 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.42 -37.16 84.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.318 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.0 mt -74.45 -57.79 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.625 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -51.87 -26.72 10.69 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.06 0.457 . . . . 0.0 110.691 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -79.18 -46.89 17.02 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.11 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.478 ' SD ' ' OXT' ' B' ' 43' ' ' LEU . 9.3 ttt -66.02 -21.91 66.42 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.313 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 54' ' ' GLU . 5.1 mm -76.77 -72.01 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.9 t -48.95 -10.05 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.83 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 52' ' ' ILE . 42.9 tt0 -69.63 -38.78 77.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.006 0.431 . . . . 0.0 110.92 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.8 p -117.12 -11.22 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.059 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 67.0 t0 -93.72 101.03 13.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.358 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -43.8 -71.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.118 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.562 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.5 p30 -69.97 12.86 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.353 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 1.91 68.79 0.0 OUTLIER Glycine 0 N--CA 1.473 1.136 0 O-C-N 124.079 0.862 . . . . 0.0 111.929 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.574 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 0.5 OUTLIER -98.15 22.63 9.23 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.216 -0.492 . . . . 0.0 110.149 -179.38 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.68 13.36 58.77 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.574 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 15.2 p -138.61 155.26 48.47 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.563 -0.374 . . . . 0.0 110.469 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.3 mt -126.53 132.62 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.741 0.305 . . . . 0.0 110.218 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.463 ' HG3' ' H ' ' A' ' 67' ' ' GLU . 12.3 pt-20 -108.88 169.69 8.52 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.366 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -53.57 -42.66 67.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.494 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.5 -38.23 86.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.056 0.455 . . . . 0.0 110.328 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 96.6 mt-10 -76.54 -40.21 50.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.702 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -61.57 -44.87 96.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.925 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.3 tt -62.46 -46.43 88.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.927 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.7 m -61.39 -41.64 97.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.3 -50.66 73.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 75' ' ' LYS . 38.4 mmt -71.74 -38.51 70.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.75 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.89 -33.77 51.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.433 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -73.59 -45.47 52.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.741 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 72' ' ' MET . 62.0 mttp -79.64 141.99 35.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.177 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.447 ' O ' ' HB2' ' A' ' 77' ' ' LYS . 46.9 t 68.5 118.09 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 O-C-N 124.191 0.932 . . . . 0.0 110.139 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 76' ' ' VAL . 32.2 ttpt 162.4 -75.77 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.009 0.818 . . . . 0.0 110.474 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 66.7 t0 -116.0 42.19 2.41 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.108 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -62.27 -84.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.502 ' N ' ' OG1' ' A' ' 79' ' ' THR . 0.1 OUTLIER 179.8 153.09 0.47 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 121.018 0.437 . . . . 0.0 110.177 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.14 -54.64 16.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.844 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -58.23 -23.73 56.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.141 0.496 . . . . 0.0 110.894 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.446 ' OE1' ' OG1' ' A' ' 79' ' ' THR . 83.2 mt-10 -76.76 -54.63 6.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.13 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -71.86 -32.24 67.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.945 0.403 . . . . 0.0 110.59 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.7 mt -66.38 -38.07 86.69 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.11 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -85.37 -42.07 14.89 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.268 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -58.75 -39.16 80.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.819 0.342 . . . . 0.0 110.195 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -57.23 7.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 36.6 t80 -51.65 -29.25 17.13 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.408 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -71.13 -36.71 72.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.9 t -76.06 -51.85 19.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.836 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -63.88 -46.77 83.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.537 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.469 ' OD1' ' OD1' ' A' ' 97' ' ' ASN . 21.5 t0 -89.28 66.35 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -44.79 -55.58 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.305 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -75.27 0.91 15.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.942 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 42.49 27.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.469 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 27.6 p-10 -63.36 -10.35 16.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.658 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.18 -15.87 50.36 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -129.88 133.39 46.86 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.5 mt -84.37 115.62 26.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.8 p -83.07 150.59 26.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.533 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.96 -44.58 70.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.607 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.6 p -55.04 -41.02 70.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.614 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.71 -45.7 81.76 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.251 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.3 tp -68.37 -31.36 70.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.345 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -61.25 -44.75 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' C ' ' N ' ' A' ' 109' ' ' MET . 62.9 m170 -68.0 -55.2 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.268 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.5 t -49.49 -18.73 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.364 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 107' ' ' HIS . 3.2 tpt -87.5 -76.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.692 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.3 tt -48.27 -34.96 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.461 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.434 ' N ' HG23 ' A' ' 110' ' ' ILE . 95.2 m-20 -51.03 -25.33 4.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.126 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 mt -89.6 1.19 56.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.14 -9.96 69.88 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 14.0 mp0 -82.39 106.53 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.813 0.339 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -89.43 104.25 16.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.82 0.343 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.82 128.55 53.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.351 0.596 . . . . 0.0 110.621 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 p -65.03 172.38 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.02 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.54 -31.29 72.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -67.43 -46.41 73.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -64.82 -40.6 95.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.678 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.19 -44.38 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.208 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.85 -31.33 72.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.041 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -68.28 -57.56 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.822 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.485 ' HE3' ' CD1' ' B' ' 23' ' ' TRP . 24.9 ttt -51.02 -57.94 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 111.065 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 129' ' ' ASP . 9.6 tp -53.17 -36.94 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.47 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.4 ' N ' HG23 ' A' ' 125' ' ' ILE . 88.1 tttt -67.57 -38.28 83.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -79.24 -16.82 55.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.665 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -101.96 -28.28 12.48 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.358 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 66.5 t0 -82.61 105.83 13.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.111 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 130' ' ' LEU . 10.9 mp -64.98 -42.83 94.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.971 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.458 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 5.4 m-20 -83.17 0.95 42.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.395 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 48.57 32.57 10.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.544 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 20.0 p-10 -92.34 15.05 14.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.725 0.298 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 68.38 23.9 75.02 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -150.85 159.28 44.65 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.309 0.576 . . . . 0.0 110.392 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.7 t -129.27 126.93 64.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.279 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -92.32 162.0 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.439 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -52.17 -41.83 62.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.023 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.96 -49.53 77.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.35 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.458 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 94.4 mt-10 -62.05 -39.95 94.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.322 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.57 -46.68 88.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.297 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.59 -47.22 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.028 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -61.36 -35.26 76.96 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.3 mmm -66.43 -23.88 66.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.609 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.3 tpt -90.54 -21.14 21.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.4 ptm . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 110.398 -179.768 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.428 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -57.99 -35.7 71.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.405 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -64.22 -43.7 94.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.303 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.428 ' HE ' ' HA ' ' B' ' 19' ' ' ALA . 83.0 mtm180 -60.49 -38.89 85.78 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.397 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.665 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.4 m95 -62.32 -49.95 73.56 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.646 -0.422 . . . . 0.0 109.958 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -68.49 -37.29 79.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.843 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.493 ' OG ' HD11 ' B' ' 29' ' ' ILE . 6.7 t -63.15 -43.17 99.06 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.037 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.474 ' O ' HG23 ' B' ' 30' ' ' VAL . 37.8 t -60.1 -45.15 93.94 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.101 -0.639 . . . . 0.0 110.507 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.6 t -69.25 -44.51 80.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.782 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m -68.34 -42.84 78.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.398 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' B' ' 33' ' ' ARG . 71.9 mt -62.25 -42.12 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 26' ' ' SER . 21.8 t -59.78 -44.87 94.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.379 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -82.63 -17.11 45.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.925 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -99.66 -11.4 20.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.177 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' B' ' 35' ' ' ARG . 60.4 ttt85 -104.94 -44.86 4.7 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.479 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.549 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 54.1 -75.59 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.119 0 O-C-N 123.291 0.369 . . . . 0.0 110.721 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' B' ' 33' ' ' ARG . 67.3 ttt180 68.72 -37.54 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.391 0.432 . . . . 0.0 110.392 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.549 ' H ' ' C ' ' B' ' 34' ' ' ALA . 83.9 mtp180 -92.8 -7.81 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.481 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.6 m-85 68.44 54.69 0.53 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 110.533 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -50.6 -32.5 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.905 0.383 . . . . 0.0 110.01 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' MET . . . . . 0.444 ' SD ' ' N ' ' B' ' 39' ' ' MET . 2.4 mpt? -66.13 -67.92 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.852 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.14 -42.67 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.369 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' B' ' 36' ' ' ARG . 49.3 m -53.61 -46.74 70.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -65.03 -40.85 95.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.575 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.478 ' OXT' ' SD ' ' A' ' 51' ' ' MET . 51.2 mt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.366 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.583 0.23 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 10' ' ' VAL . 46.4 mt-10 -51.38 -41.5 60.72 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.952 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.7 mp0 -62.59 -52.25 64.14 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -49.63 -48.1 49.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mm -62.58 -43.31 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 6' ' ' GLU . 30.8 t -61.16 -51.29 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.349 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -57.07 -51.98 67.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -60.69 -42.77 97.8 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.045 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -61.15 -36.28 79.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.257 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.531 ' OE2' ' NH2' ' B' ' 35' ' ' ARG . 72.6 tt0 -63.28 -50.63 69.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.016 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.19 -38.15 68.0 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.999 0.428 . . . . 0.0 109.998 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 38.1 t80 -61.29 -46.58 89.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.034 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.62 -37.86 78.49 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.12 -51.99 65.68 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.776 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CD1' HD12 ' A' ' 32' ' ' LEU . 25.1 m-85 -53.15 -33.1 51.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.577 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 81.7 m-20 -99.59 76.51 2.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.595 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HG3' ' H ' ' A' ' 21' ' ' LYS . 29.4 mtmt -51.69 -26.19 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.131 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 23' ' ' GLY . 45.3 p30 -107.99 36.74 2.67 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.679 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.87 63.5 0.01 OUTLIER Glycine 0 N--CA 1.471 0.97 0 O-C-N 123.832 0.708 . . . . 0.0 112.166 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 47.3 p-10 -86.44 -26.73 24.55 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 111.79 9.7 20.33 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.466 ' SG ' ' OD2' ' A' ' 24' ' ' ASP . 30.1 p -160.57 163.93 32.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.824 0.345 . . . . 0.0 110.361 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.1 mt -117.06 123.15 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.014 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 m -106.25 152.47 23.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.826 0.346 . . . . 0.0 110.802 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.1 t -48.91 -40.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.373 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.77 -54.59 40.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.336 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -60.54 -45.11 95.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.055 0.455 . . . . 0.0 110.25 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.517 HD12 ' CD1' ' A' ' 19' ' ' PHE . 6.6 tp -65.07 -38.53 91.06 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.407 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.39 92.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.928 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -58.01 -43.52 86.74 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.01 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -64.74 -45.44 95.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.333 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.73 -44.56 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.642 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -62.86 -36.48 83.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.472 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.3 m -84.77 18.65 2.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.179 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -114.62 17.65 17.12 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.333 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 12.0 t0 87.8 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.215 0.947 . . . . 0.0 110.496 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -86.9 146.14 26.29 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.953 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.4 p30 -141.22 67.63 26.33 Favored Pre-proline 0 N--CA 1.466 0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.188 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.03 154.16 42.15 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.679 2.252 . . . . 0.0 112.166 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.5 t -58.79 149.35 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.682 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -67.03 -30.21 70.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.545 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -55.62 -46.0 77.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.356 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' H ' HG23 ' A' ' 44' ' ' THR . 1.3 tm-20 -58.96 -59.16 5.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.312 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.412 ' H ' ' HG ' ' A' ' 48' ' ' LEU . 64.9 mt -48.81 -43.47 38.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.04 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -60.41 -46.61 89.4 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.768 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.65 -48.69 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 29.7 ttp -63.21 -45.32 92.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.527 HD13 HD11 ' A' ' 63' ' ' ILE . 8.1 mm -65.95 -41.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.273 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.7 p -71.64 -35.57 70.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.48 -38.16 68.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.74 HG21 HD13 ' A' ' 71' ' ' LEU . 61.4 t -87.35 -51.13 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -57.29 94.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.733 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.624 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.99 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.528 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 59' ' ' GLY . 33.6 p-10 -62.35 11.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.667 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.624 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 32.0 64.16 0.24 Allowed Glycine 0 C--N 1.338 0.657 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 62' ' ' THR . 33.6 p30 -101.39 29.19 4.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.762 0.315 . . . . 0.0 110.158 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 44.09 17.07 0.06 OUTLIER Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.716 -0.953 . . . . 0.0 110.716 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 60' ' ' ASN . 17.7 p -139.5 140.98 37.36 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.1 0.476 . . . . 0.0 110.573 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.527 HD11 HD13 ' A' ' 52' ' ' ILE . 72.1 mt -107.56 128.26 62.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -90.32 161.65 15.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.314 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -48.47 -48.3 37.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.342 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.54 -39.13 79.32 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -74.06 -39.96 63.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.1 -46.77 87.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.556 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.7 tt -61.78 -48.69 79.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.217 -178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.0 p -64.1 -43.02 96.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.577 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.74 HD13 HG21 ' A' ' 55' ' ' VAL . 40.4 tp -58.2 -48.33 80.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.8 tpt -71.8 -37.63 70.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.49 69.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.867 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -60.55 -64.67 0.87 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.477 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.583 ' O ' ' C ' ' A' ' 76' ' ' VAL . 28.3 tptp -44.87 -84.54 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.583 ' C ' ' O ' ' A' ' 75' ' ' LYS . 61.1 t -11.21 117.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 123.917 0.761 . . . . 0.0 110.903 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -173.98 -106.7 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.211 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 65.9 t0 -175.37 35.79 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.853 0.359 . . . . 0.0 110.199 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.0 p -63.43 -65.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.18 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.87 116.14 28.58 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.119 0.485 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.99 -52.99 9.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.428 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -55.1 -14.67 1.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -84.71 -58.61 2.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -66.03 -34.27 77.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.324 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 142' ' ' VAL . 3.2 tp -71.88 -35.95 69.92 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.05 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -83.71 -46.11 12.64 Favored 'General case' 0 C--N 1.338 0.068 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.532 ' O ' HG23 ' A' ' 91' ' ' VAL . 92.2 mt-10 -58.67 -41.68 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.898 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.42 -57.77 9.21 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.875 0.369 . . . . 0.0 110.169 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.02 -38.49 73.21 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.243 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.94 -37.78 80.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.28 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 87' ' ' GLU . 94.7 t -76.58 -48.82 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 110.693 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -58.88 -47.63 84.27 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.098 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 96' ' ' GLN . 38.9 t0 -88.74 61.37 5.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.274 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -38.52 -59.56 0.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.784 0.326 . . . . 0.0 111.407 -178.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 56.1 p30 -62.72 -10.72 13.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.571 ' N ' ' O ' ' A' ' 93' ' ' ASP . 52.1 mt-30 43.77 67.03 0.71 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.424 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -108.23 0.67 21.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.465 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.83 -1.2 63.27 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -140.05 145.19 37.4 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.516 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.7 mt -96.43 116.09 37.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 120.883 0.373 . . . . 0.0 110.209 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 m -85.75 147.13 26.47 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.187 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -43.83 68.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.783 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -60.26 -43.85 95.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.717 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 92.6 mt-10 -65.24 -51.05 63.33 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.16 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.431 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 48.2 tp -66.82 -22.91 65.99 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.79 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.558 ' O ' HG22 ' A' ' 110' ' ' ILE . 61.3 ttp180 -82.53 -41.39 19.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -56.85 -50.72 71.57 Favored 'General case' 0 CA--C 1.52 -0.178 0 O-C-N 123.765 0.666 . . . . 0.0 109.559 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.507 ' O ' ' C ' ' A' ' 109' ' ' MET . 46.0 t -62.53 -64.24 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.828 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.507 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.1 tpt -30.41 -74.34 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.977 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.639 HG23 ' N ' ' A' ' 111' ' ' ASN . 7.1 tp -47.18 -50.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.657 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.639 ' N ' HG23 ' A' ' 110' ' ' ILE . 21.4 t-20 -51.25 -9.3 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.392 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.617 ' CD2' ' HE ' ' B' ' 33' ' ' ARG . 85.3 mt -110.27 81.98 1.52 Allowed 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.712 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 12.72 61.69 0.01 OUTLIER Glycine 0 N--CA 1.471 1.025 0 O-C-N 123.689 0.618 . . . . 0.0 112.084 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.598 ' O ' HD12 ' A' ' 110' ' ' ILE . 60.0 mt-10 -144.78 120.81 10.72 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.044 0.45 . . . . 0.0 110.22 -178.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -100.63 88.46 3.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.291 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 65.8 mt -118.61 128.41 54.51 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.058 0.456 . . . . 0.0 110.908 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.7 p -68.18 167.78 13.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.414 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 122' ' ' GLU . 42.1 t0 -62.42 -27.41 69.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.303 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -65.24 -51.59 59.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.653 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -59.27 -42.62 91.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.978 0.418 . . . . 0.0 110.539 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.01 -46.48 88.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.147 0.499 . . . . 0.0 110.771 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.419 ' OE2' ' OD2' ' A' ' 118' ' ' ASP . 90.7 mt-10 -60.76 -23.71 65.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.758 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -75.51 -59.23 2.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.615 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.412 ' SD ' ' CG ' ' B' ' 22' ' ' ARG . 12.4 ttp -46.7 -51.78 15.32 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.274 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.581 HG23 ' N ' ' A' ' 126' ' ' LYS . 19.8 tt -61.05 -45.35 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.581 ' N ' HG23 ' A' ' 125' ' ' ILE . 38.2 ttpt -61.84 -38.39 88.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.392 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -68.02 -47.12 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.474 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.31 -35.49 79.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.132 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 41.8 t0 -69.22 99.82 1.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.938 0.399 . . . . 0.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.0 mt -72.95 -42.32 63.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.271 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.517 ' O ' ' O ' ' A' ' 132' ' ' GLY . 19.5 p-10 -85.42 1.37 48.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.766 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 50.72 112.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 3.6 p30 -160.95 -20.9 0.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.526 -0.397 . . . . 0.0 110.465 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.8 6.42 49.51 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.52 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 8.3 mt-30 -147.24 156.27 42.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.922 0.391 . . . . 0.0 110.481 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.2 t -115.71 124.19 71.88 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.202 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.72 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -84.73 151.3 24.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.614 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.455 ' O ' HG23 ' A' ' 142' ' ' VAL . 72.6 t80 -51.57 -42.3 61.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.303 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -62.45 -49.19 76.42 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.944 0.402 . . . . 0.0 110.002 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.28 -37.97 85.08 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 55.1 t80 -64.28 -47.53 79.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.04 0.448 . . . . 0.0 110.418 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.839 HG22 HD21 ' A' ' 85' ' ' LEU . 79.6 t -59.8 -45.55 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -61.0 -36.0 78.32 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.335 0.397 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.6 ttt -72.52 -33.08 66.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.606 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 6.2 mtp -75.48 -26.06 57.87 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.193 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 44.9 mmm . . . . . 0 C--O 1.22 -0.481 0 O-C-N 124.289 0.993 . . . . 0.0 111.202 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -63.99 -37.95 89.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.656 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.15 -43.57 91.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.454 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.412 ' CG ' ' SD ' ' A' ' 124' ' ' MET . 18.6 tpp85 -62.56 -43.18 99.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.079 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.431 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 2.7 m95 -58.34 -44.85 88.92 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -65.39 -37.23 86.35 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.903 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 40.6 m -58.9 -45.81 89.39 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.185 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.56 ' O ' HG23 ' B' ' 30' ' ' VAL . 14.8 m -61.74 -43.83 98.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.273 0.558 . . . . 0.0 110.354 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.64 -40.36 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.476 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 70.3 m -61.32 -42.63 98.99 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.72 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.401 ' CD1' ' OE2' ' A' ' 114' ' ' GLU . 96.4 mt -68.29 -28.74 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.437 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 26' ' ' SER . 43.0 t -67.92 -44.51 85.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.619 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' B' ' 32' ' ' ASN . 28.9 pttt -64.97 -36.54 84.73 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.831 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' B' ' 31' ' ' LYS . 92.7 m-20 -71.5 -39.5 70.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.357 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.617 ' HE ' ' CD2' ' A' ' 112' ' ' LEU . 60.7 ttm-85 -64.16 -46.32 84.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.059 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 37.75 64.64 0.64 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.713 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.531 ' NH2' ' OE2' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -70.57 7.76 1.01 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.637 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.427 ' H ' ' C ' ' B' ' 34' ' ' ALA . 35.0 mmt180 -126.69 -1.06 6.74 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.489 0.493 . . . . 0.0 110.463 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.438 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 5.3 m-85 62.66 47.29 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.45 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -41.16 -33.77 0.39 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.894 0.378 . . . . 0.0 110.701 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' MET . . . . . 0.511 ' SD ' ' N ' ' B' ' 40' ' ' ILE . 1.8 tmt? -66.99 -70.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.681 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.511 ' N ' ' SD ' ' B' ' 39' ' ' MET . 85.3 mt -62.06 -43.25 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.307 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.6 p -54.06 -45.41 71.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.168 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.19 -41.18 97.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.368 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.31 -179.483 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.774 0.321 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.594 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 43.5 mp0 -53.83 -24.72 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -61.23 -54.62 41.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 2.4 mp0 -49.81 -43.04 48.4 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.06 -43.27 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.518 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 6' ' ' GLU . 25.5 t -59.36 -48.75 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.133 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.85 -47.44 86.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.039 0.447 . . . . 0.0 109.879 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -61.64 -44.99 95.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.281 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -64.79 -37.74 88.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.951 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -58.42 -51.38 70.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.87 89.56 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.471 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -61.84 -50.08 73.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.682 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.28 -32.51 81.0 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.532 HD23 ' C ' ' A' ' 18' ' ' LEU . 4.9 tt -62.92 -53.57 51.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.57 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.512 ' CE1' HG11 ' A' ' 35' ' ' VAL . 1.7 m-85 -57.25 -27.63 62.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.217 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 37.6 t0 -101.12 88.33 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -66.3 -35.91 81.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.092 0.473 . . . . 0.0 110.392 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.58 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.1 p30 -95.73 31.41 2.07 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.797 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.26 65.42 0.01 OUTLIER Glycine 0 N--CA 1.468 0.773 0 O-C-N 123.442 0.464 . . . . 0.0 112.077 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 58.1 m-20 -91.53 -26.31 18.83 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.473 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 111.05 3.39 28.01 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 5.6 m -163.18 127.54 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 110.648 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.5 mt -76.82 123.56 33.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.893 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.0 m -98.26 152.81 19.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.61 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 t -47.64 -43.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.154 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -58.59 -60.93 3.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 69.4 mt-10 -53.66 -44.1 69.35 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.237 0.541 . . . . 0.0 109.737 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD12 ' CE1' ' A' ' 19' ' ' PHE . 6.9 tp -61.38 -38.8 88.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.22 -48.18 81.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.178 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.2 m -56.82 -51.01 70.67 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.301 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.512 HG11 ' CE1' ' A' ' 19' ' ' PHE . 86.8 t -59.33 -43.91 91.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.436 ' CD1' HD21 ' A' ' 48' ' ' LEU . 72.5 mt -62.9 -43.15 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.691 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -54.11 -46.65 72.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.316 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.7 p -70.05 -39.72 75.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.175 0.512 . . . . 0.0 109.796 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 36.9 tp -72.57 -3.83 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.868 0.842 . . . . 0.0 110.191 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -159.37 -134.49 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.48 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -151.96 66.35 0.85 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 48.94 82.94 0.23 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.562 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.34 -94.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.714 2.276 . . . . 0.0 112.081 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.682 ' O ' HD13 ' A' ' 48' ' ' LEU . 8.6 t -156.13 137.03 13.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.145 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -68.72 -19.62 64.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -67.16 -63.2 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.62 -21.93 20.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.682 HD13 ' O ' ' A' ' 44' ' ' THR . 6.1 mp -73.68 -62.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.795 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 53' ' ' SER . 87.7 mt-30 -66.44 -23.61 66.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.147 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -68.67 -53.03 24.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.162 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.7 mtm -62.63 -42.72 99.76 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.937 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.464 HG12 HD11 ' A' ' 63' ' ' ILE . 68.6 mt -73.2 -25.67 21.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.777 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 5.4 t -69.76 -47.76 61.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.034 0.445 . . . . 0.0 111.042 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -53.37 -32.77 50.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.459 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 57' ' ' ALA . 65.0 t -96.64 -55.5 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.985 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.47 ' OD2' ' OD1' ' A' ' 60' ' ' ASN . 60.0 t0 -42.73 92.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.991 0.424 . . . . 0.0 110.48 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.619 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -47.48 -72.52 0.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.89 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.54 ' O ' ' C ' ' A' ' 59' ' ' GLY . 45.9 p-10 -65.51 19.56 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.047 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.619 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 20.48 58.62 0.01 OUTLIER Glycine 0 C--N 1.341 0.832 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.472 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 51.1 p-10 -90.45 -25.35 20.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.88 0.371 . . . . 0.0 110.173 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 102.81 14.26 27.52 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.472 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 7.6 p -140.14 150.07 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.473 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.464 HD11 HG12 ' A' ' 52' ' ' ILE . 84.5 mt -102.76 125.2 57.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.939 0.4 . . . . 0.0 110.682 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' GLU . 83.6 tt0 -101.59 158.13 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.191 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' GLU . 80.7 t80 -37.83 -57.64 0.99 Allowed 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 66.0 t0 -54.38 -35.86 63.27 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 120.956 0.407 . . . . 0.0 110.667 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' GLU . 71.6 mt-10 -75.87 -32.12 59.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.829 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.04 -44.12 81.03 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.24 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' ALA . 9.9 mp -62.35 -42.87 99.74 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.157 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.3 m -58.98 -43.33 91.38 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 121.499 0.666 . . . . 0.0 110.76 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.57 -47.04 85.59 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.248 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 8.8 mmt -77.74 -32.25 52.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.403 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -50.09 -33.96 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.968 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -81.36 -18.14 46.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 76' ' ' VAL . 64.8 tttm -71.02 129.19 38.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.235 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 75' ' ' LYS . 39.4 t 55.65 121.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -129.71 -146.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -89.59 28.24 1.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.766 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 80' ' ' ASP . 0.6 OUTLIER -147.72 -144.16 0.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.702 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.494 ' H ' HG22 ' A' ' 79' ' ' THR . 93.9 m-20 54.51 54.57 9.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.61 -57.28 4.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.75 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.51 -19.36 64.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.97 0.414 . . . . 0.0 110.71 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.454 ' OE1' ' OE2' ' A' ' 87' ' ' GLU . 1.9 tm-20 -76.31 -48.36 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.47 ' OE2' HG13 ' A' ' 76' ' ' VAL . 94.9 mt-10 -80.42 -37.05 32.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.105 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.53 -33.9 76.98 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.235 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -83.28 -40.9 18.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.342 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.547 ' OE1' ' NH2' ' B' ' 38' ' ' ARG . 95.2 mt-10 -66.41 -39.11 88.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.3 -56.07 17.02 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.187 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 62.6 t80 -55.19 -41.77 72.37 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.983 0.42 . . . . 0.0 109.982 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -59.15 -33.79 71.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.157 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.5 t -74.72 -60.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 8.4 m-85 -51.48 -44.42 62.47 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.252 -179.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' CZ ' ' A' ' 89' ' ' PHE . 21.3 m-20 -84.45 64.12 8.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.907 0.384 . . . . 0.0 110.87 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -41.93 -55.81 2.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.131 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 10.6 p30 -70.84 -3.69 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.188 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 93' ' ' ASP . 25.9 mt-30 44.12 44.25 6.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.639 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 50.4 p30 -82.44 -2.3 52.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.402 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.76 -3.42 74.31 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -137.57 143.86 41.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 0.0 110.542 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.5 mt -92.14 112.46 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.453 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 61.4 m -88.21 148.12 24.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.432 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.19 -45.15 53.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.7 t -60.16 -44.45 94.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.9 0.381 . . . . 0.0 110.704 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 60.9 mt-10 -61.74 -54.5 41.66 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.176 0.513 . . . . 0.0 110.682 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.442 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 55.1 tp -65.86 -22.25 66.52 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.861 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.455 ' O ' HG22 ' A' ' 110' ' ' ILE . 43.8 ttm180 -77.97 -49.19 14.57 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.109 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -53.78 -49.71 67.66 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.708 ' CG1' HD23 ' A' ' 112' ' ' LEU . 46.1 t -60.71 -66.57 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.041 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.473 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -32.2 -73.86 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.255 0.347 . . . . 0.0 111.18 -178.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.594 HG23 ' N ' ' A' ' 111' ' ' ASN . 21.1 tt -51.22 -45.31 31.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.488 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.594 ' N ' HG23 ' A' ' 110' ' ' ILE . 57.6 t30 -70.58 -8.46 51.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.236 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.708 HD23 ' CG1' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -86.12 18.3 3.16 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.973 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.04 -73.03 0.53 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -53.83 134.87 42.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.348 . . . . 0.0 110.188 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.497 ' C ' HD12 ' A' ' 116' ' ' LEU . 61.0 mttp -93.76 108.24 20.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.798 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 115' ' ' LYS . 9.6 mp -116.51 133.59 55.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.611 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.8 p -72.83 174.43 7.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.563 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 -69.37 -26.01 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.607 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -67.87 -50.44 56.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.46 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.547 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 23.6 tp10 -60.49 -44.76 95.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.25 0.548 . . . . 0.0 110.409 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.405 ' O ' ' HG2' ' A' ' 124' ' ' MET . 93.4 t -64.74 -41.14 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.08 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.1 -28.92 70.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.88 0.372 . . . . 0.0 110.508 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -69.13 -53.24 21.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.412 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 11.9 ptm -57.86 -38.56 75.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.303 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 124' ' ' MET . 4.3 mm -64.04 -43.2 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.272 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -69.44 -36.62 76.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.842 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -78.66 -57.06 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.285 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.455 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -49.69 -37.0 27.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.208 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 25.1 t0 -91.5 109.24 20.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.842 0.353 . . . . 0.0 110.114 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 130' ' ' LEU . 11.2 mp -61.3 -46.05 91.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.928 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 4.2 p30 -75.46 -4.93 42.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.706 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 46.51 42.07 13.31 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 57.4 m-20 -79.94 20.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 64.7 5.03 16.04 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -148.38 156.94 43.13 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.028 0.442 . . . . 0.0 110.489 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.4 t -122.25 125.69 73.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.773 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 2.5 m-20 -90.46 155.12 19.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.724 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -46.93 -42.92 18.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.387 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -61.77 -51.92 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.359 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 98.9 mt-10 -58.11 -40.67 81.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.253 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -61.66 -46.52 89.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.5 -45.88 93.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.467 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -64.36 -32.95 74.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.87 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.498 ' O ' ' SD ' ' A' ' 144' ' ' MET . 2.2 tmm? -76.52 -30.43 57.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.221 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.4 tpp -88.86 -27.61 20.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.545 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 16.1 mmt . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.884 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -65.43 -35.46 81.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.484 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -63.69 -47.89 79.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.361 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.547 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 41.2 ttm105 -60.14 -44.66 94.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.076 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.455 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 8.6 m95 -61.09 -49.0 79.08 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.308 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -65.96 -34.22 77.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.042 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 66.7 m -59.28 -48.61 80.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.589 ' O ' HG23 ' B' ' 30' ' ' VAL . 15.8 m -61.94 -42.15 98.78 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.299 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t -68.21 -43.83 84.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 91.2 p -65.56 -44.56 86.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.073 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 33' ' ' ARG . 75.1 mt -63.17 -41.99 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.589 HG23 ' O ' ' B' ' 26' ' ' SER . 27.1 t -58.49 -45.38 90.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.209 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -64.44 -44.13 92.12 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.646 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -74.92 -27.62 60.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.25 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' B' ' 29' ' ' ILE . 66.1 ttp85 -66.75 -58.43 5.09 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.797 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 24.81 44.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.797 0.686 . . . . 0.0 111.366 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' B' ' 33' ' ' ARG . 54.8 ttp180 -59.64 -2.71 0.38 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.74 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' B' ' 34' ' ' ALA . 31.5 ptt180 -111.06 -5.2 14.83 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.417 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 2.2 m-85 65.95 47.21 2.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.604 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.547 ' NH2' ' OE1' ' A' ' 87' ' ' GLU . 13.7 ptm180 -43.86 -26.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.561 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 26.9 ttt -70.11 -64.2 0.93 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.398 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.84 -42.92 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.293 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' B' ' 42' ' ' ASN . 6.0 p -54.06 -53.05 58.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.139 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' B' ' 38' ' ' ARG . 80.0 m-20 -69.96 -39.4 76.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.965 0.412 . . . . 0.0 110.662 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.543 -179.242 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 p . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 120.84 0.352 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 10' ' ' VAL . 95.8 mt-10 -50.26 -28.92 8.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.414 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -59.0 -28.44 66.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.013 0.435 . . . . 0.0 110.771 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.531 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 9.4 mp0 -78.99 -55.32 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.987 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.2 mm -61.62 -40.49 86.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.341 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 6' ' ' GLU . 40.5 t -60.31 -50.7 79.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.227 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.479 ' O ' ' NH2' ' B' ' 33' ' ' ARG . 31.4 m-20 -54.34 -52.52 61.33 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.201 0.524 . . . . 0.0 110.523 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.502 ' CE2' ' ND2' ' B' ' 32' ' ' ASN . 18.4 m-85 -63.49 -42.2 98.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.555 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -61.0 -42.48 98.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.203 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.49 ' HB2' HH22 ' B' ' 33' ' ' ARG . 85.6 mt-10 -55.23 -52.35 63.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.129 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.39 -46.01 87.23 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.217 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.467 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 34.2 t80 -58.24 -48.77 79.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.128 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.05 -34.94 62.76 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.613 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.9 tt -62.28 -52.47 63.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.009 0.433 . . . . 0.0 110.086 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.633 ' CE1' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -53.35 -32.86 51.17 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.16 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 98.4 m-20 -93.88 76.35 4.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.684 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -51.86 -32.98 34.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.365 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 23' ' ' GLY . 53.3 p30 -101.98 37.7 1.8 Allowed 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.964 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.97 66.73 0.01 OUTLIER Glycine 0 C--N 1.343 0.953 0 O-C-N 124.085 0.866 . . . . 0.0 111.581 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 42.4 p-10 -92.72 -26.12 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -178.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 108.67 14.26 16.25 Favored Glycine 0 N--CA 1.465 0.6 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 9.4 m -162.61 166.04 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.7 mt -114.7 118.9 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 m -101.44 150.63 22.84 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.974 0.416 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.9 t -48.71 -42.4 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.04 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -61.98 -53.19 59.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.488 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.433 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 68.8 mt-10 -58.39 -44.45 88.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.939 0.4 . . . . 0.0 110.028 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.633 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.7 tp -60.9 -35.19 76.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.18 78.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 m -60.18 -48.74 80.45 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.719 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.1 t -60.48 -46.13 95.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.501 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' ASP . 76.6 mt -60.18 -43.14 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.485 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 40' ' ' ASP . 72.8 ttp85 -58.23 -33.17 69.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.068 0.461 . . . . 0.0 110.361 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -71.83 -41.25 68.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.872 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.4 pp -97.05 4.06 51.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.312 0.577 . . . . 0.0 110.932 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 37' ' ' ARG . 32.8 t70 -170.31 176.99 4.29 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -65.62 -153.52 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.252 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -122.88 82.97 49.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.948 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -55.44 -169.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.826 2.351 . . . . 0.0 111.796 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.578 HG22 ' H ' ' A' ' 46' ' ' GLU . 54.8 m -92.37 136.52 33.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.069 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -53.03 -40.32 63.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.578 ' H ' HG22 ' A' ' 44' ' ' THR . 77.6 tt0 -49.14 -42.57 39.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.321 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.04 -34.0 77.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.959 0.409 . . . . 0.0 110.466 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 48' ' ' LEU . 10.9 mp -74.41 -45.47 46.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.024 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -69.48 -30.14 67.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.17 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' GLU . 28.5 t70 -70.02 -57.6 4.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.752 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -60.07 -40.86 90.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.46 . . . . 0.0 110.734 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.687 HD13 HD11 ' A' ' 63' ' ' ILE . 5.8 mm -65.43 -38.58 82.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.678 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.8 t -85.1 -19.98 31.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.724 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ASP . 42.4 tp10 -57.2 -44.9 84.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.594 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 57' ' ' ALA . 92.1 t -97.77 -52.05 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.727 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -47.84 89.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.575 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.577 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.19 -73.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.6 p30 -59.3 4.71 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.827 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 18.48 60.42 0.01 OUTLIER Glycine 0 C--N 1.346 1.136 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.3 p-10 -76.76 -13.96 59.98 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.541 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.99 -1.6 44.5 Favored Glycine 0 N--CA 1.463 0.454 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.4 p -141.5 149.2 40.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.659 0.266 . . . . 0.0 110.645 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.687 HD11 HD13 ' A' ' 52' ' ' ILE . 67.0 mt -100.24 123.68 53.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.015 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -87.45 160.48 18.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.161 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -45.27 -53.79 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -54.9 -38.97 68.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.934 0.397 . . . . 0.0 110.694 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.73 -38.32 67.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.942 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.11 -44.98 96.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.119 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 73' ' ' ALA . 3.8 mm? -62.13 -50.78 70.51 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.5 p -65.38 -43.99 88.99 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.957 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.11 -45.07 83.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.0 tpt -83.57 -51.59 7.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 69' ' ' LEU . . . -53.06 -33.89 54.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.872 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -72.18 -58.24 3.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.084 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -36.81 -68.4 0.14 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.474 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.5 t -83.83 75.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.028 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -94.24 -100.89 0.15 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.42 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 59.5 t0 -111.33 21.58 16.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.891 0.377 . . . . 0.0 110.711 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.567 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 1.5 t -142.98 134.41 26.23 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-O 117.644 -1.17 . . . . 0.0 109.049 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.567 ' CG ' ' O ' ' A' ' 79' ' ' THR . 36.1 m-20 138.26 35.39 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 O-C-N 125.508 1.755 . . . . 0.0 110.665 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.61 -58.71 5.08 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.581 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.481 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 48.4 mp0 -61.23 -21.85 64.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.879 0.371 . . . . 0.0 110.461 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.25 -43.45 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 7.6 pt-20 -82.27 -35.56 27.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.258 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.98 -38.29 85.78 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.205 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -80.58 -43.73 20.13 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.231 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.547 ' OE1' ' NE ' ' B' ' 38' ' ' ARG . 58.8 mt-10 -66.81 -41.78 86.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.104 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -57.74 -51.76 68.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.667 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.3 -42.02 85.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.357 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -58.14 -37.34 74.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 87' ' ' GLU . 92.6 t -77.21 -48.79 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.429 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.09 -49.97 75.55 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.068 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.614 ' O ' ' N ' ' A' ' 96' ' ' GLN . 55.9 t0 -89.56 57.23 3.86 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.342 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' ASP . 16.4 ttmm -37.23 -50.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.745 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.453 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.3 m-20 -63.8 -24.52 67.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.752 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 93' ' ' ASP . 76.7 mt-30 61.35 19.26 10.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -65.48 -0.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.604 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 91.51 4.93 67.51 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -141.16 146.35 36.89 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.75 0.31 . . . . 0.0 110.635 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.2 mt -98.3 111.29 27.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.3 p -81.57 151.84 27.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.592 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.84 74.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.62 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.0 p -60.5 -41.91 95.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 110.663 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.453 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 29.9 mt-10 -65.01 -49.91 68.35 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.122 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.7 tp -67.09 -23.14 65.82 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.115 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.54 ' O ' HG22 ' A' ' 110' ' ' ILE . 78.6 ttt180 -83.75 -41.44 17.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.447 ' CE1' ' OD1' ' A' ' 111' ' ' ASN . 73.2 t60 -57.82 -50.0 74.76 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.564 0.54 . . . . 0.0 109.711 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 109' ' ' MET . 46.0 t -61.9 -64.49 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.863 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' VAL . 5.8 tpt -32.85 -73.97 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.821 0.343 . . . . 0.0 111.262 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.623 HG23 ' N ' ' A' ' 111' ' ' ASN . 17.4 tt -49.23 -48.07 18.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.132 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.623 ' N ' HG23 ' A' ' 110' ' ' ILE . 7.8 m120 -57.29 -14.44 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.274 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 114' ' ' GLU . 7.1 mp -107.83 82.76 1.69 Allowed 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.625 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 36.36 -83.71 0.0 OUTLIER Glycine 0 CA--C 1.521 0.456 0 O-C-N 123.747 0.654 . . . . 0.0 111.607 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 112' ' ' LEU . 52.4 tp10 -50.49 118.04 2.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.934 0.397 . . . . 0.0 110.453 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.51 ' C ' HD12 ' A' ' 116' ' ' LEU . 20.8 pttm -112.03 136.7 51.05 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.549 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 115' ' ' LYS . 10.5 mp -113.32 144.52 42.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.6 p -70.12 -178.52 1.66 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.36 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.18 -32.67 70.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -71.29 -42.33 68.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 0.0 110.732 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.88 -40.36 87.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.46 -60.35 2.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.762 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -56.09 -24.31 39.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.108 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -70.21 -65.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.932 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.624 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 6.3 ttp -47.16 -57.9 4.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.039 -178.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.478 HG23 ' N ' ' A' ' 126' ' ' LYS . 16.3 tt -53.02 -39.43 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.85 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.478 ' N ' HG23 ' A' ' 125' ' ' ILE . 1.5 tmmt? -65.54 -39.21 91.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.752 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -76.68 -58.4 3.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.23 -31.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.469 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 13.8 t0 -79.72 113.11 17.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.102 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.9 mt -74.45 -35.16 63.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.413 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.598 ' O ' ' O ' ' A' ' 132' ' ' GLY . 13.1 p-10 -94.97 0.57 54.78 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.785 -178.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.598 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 47.57 121.39 0.0 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.434 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 0.7 OUTLIER -168.46 -22.75 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 O-C-N 122.135 -0.626 . . . . 0.0 110.473 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.61 5.3 39.42 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.403 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 17.1 mt-30 -146.16 146.23 30.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.038 0.447 . . . . 0.0 110.221 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.3 t -112.89 128.22 69.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.927 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 49.9 t-20 -88.56 149.03 23.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.382 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 67.8 t80 -45.55 -40.89 9.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -59.57 -56.31 23.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.576 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -58.06 -40.57 81.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.041 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -58.92 -50.28 74.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.66 -46.81 90.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -58.4 -32.74 68.91 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.796 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.6 ttt -70.42 -40.31 73.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.902 0.382 . . . . 0.0 110.488 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.51 ' O ' ' O ' ' A' ' 146' ' ' MET . 10.2 mmt -62.35 -22.14 65.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.4 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.51 ' O ' ' O ' ' A' ' 145' ' ' MET . 91.8 mmm . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 121.241 0.543 . . . . 0.0 111.067 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -61.42 -45.71 93.15 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.419 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -61.05 -41.43 96.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.488 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.424 ' CD ' HD21 ' A' ' 116' ' ' LEU . 14.3 tpp180 -59.06 -40.99 86.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.169 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.624 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 2.2 m95 -59.07 -48.6 81.0 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.966 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -66.36 -33.87 76.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.787 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.0 m -59.61 -46.11 89.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 92.2 p -61.37 -44.07 97.79 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.292 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 99.8 t -67.77 -40.3 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 56.3 m -61.42 -41.99 98.03 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.749 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.09 -41.93 93.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -58.56 -42.55 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -58.4 -47.48 83.75 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.014 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASN . . . . . 0.556 ' O ' ' ND2' ' B' ' 32' ' ' ASN . 0.3 OUTLIER -71.96 -20.83 61.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.621 -179.149 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.49 HH22 ' HB2' ' A' ' 14' ' ' GLU . 3.2 tpm_? -78.88 -58.75 3.08 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.462 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 33.06 51.55 0.28 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.567 0.542 . . . . 0.0 111.0 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -55.03 -8.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.07 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' B' ' 34' ' ' ALA . 96.0 mtt180 -115.43 -6.73 12.3 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.635 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.46 ' O ' ' CB ' ' B' ' 41' ' ' SER . 1.1 m-85 63.86 73.81 0.43 Allowed 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 121.042 0.449 . . . . 0.0 110.171 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.547 ' NE ' ' OE1' ' A' ' 87' ' ' GLU . 44.1 mtp180 -54.91 -42.71 72.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.036 0.446 . . . . 0.0 110.696 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 35.0 mmt -64.36 -61.73 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.335 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 93.0 mt -62.57 -43.44 98.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.69 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 80.9 p -54.37 -43.58 71.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -65.62 -41.46 92.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 62.6 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.392 -179.673 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.859 0.361 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.4 mt-10 -44.26 -29.3 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.38 -44.2 88.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.09 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -54.29 -53.43 53.85 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.51 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.5 mp -58.31 -41.93 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 6' ' ' GLU . 41.0 t -60.82 -50.4 80.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.09 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -50.62 -53.29 31.96 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.49 ' CE2' HD21 ' A' ' 69' ' ' LEU . 59.0 m-85 -63.44 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.268 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -58.31 -46.49 86.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.077 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.45 -51.57 68.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.584 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.7 -45.73 74.03 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.933 0.397 . . . . 0.0 110.409 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 2.4 t80 -61.57 -44.61 96.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.818 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.42 -39.74 60.18 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.02 -43.4 98.83 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.735 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -64.39 -41.03 96.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 24' ' ' ASP . 36.6 t0 -94.2 75.08 4.0 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.361 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -58.45 -36.47 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.609 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.3 p30 -90.93 35.42 0.9 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.437 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.25 66.2 0.01 OUTLIER Glycine 0 CA--C 1.523 0.554 0 C-N-CA 121.372 -0.442 . . . . 0.0 112.712 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.526 ' H ' ' CG ' ' A' ' 20' ' ' ASP . 62.6 m-20 -92.92 -26.87 17.4 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.83 -26.95 8.57 Favored Glycine 0 N--CA 1.464 0.558 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -130.2 176.61 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.984 0.421 . . . . 0.0 110.198 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.7 mt -114.79 117.58 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.99 179.63 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -77.15 -49.13 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.399 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.04 -46.27 90.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.171 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.33 -45.68 84.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.397 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.559 HD22 HD11 ' A' ' 52' ' ' ILE . 6.0 tp -59.86 -41.23 91.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.088 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.86 97.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.299 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -58.33 -51.44 69.77 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.308 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -59.43 -46.64 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.7 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.61 -42.86 93.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.573 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -54.43 -38.36 66.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 0.0 110.396 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 p -96.57 23.61 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.527 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -128.3 -5.56 5.42 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.992 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER 177.24 -71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.696 -179.103 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.45 ' HG2' ' H ' ' A' ' 42' ' ' ASN . 6.3 tt0 -158.7 -174.24 4.68 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.319 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.45 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 37.1 t-20 -113.61 90.06 17.09 Favored Pre-proline 0 C--O 1.231 0.113 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.78 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.15 161.06 32.74 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.999 2.466 . . . . 0.0 112.13 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 47' ' ' GLU . 10.2 t -58.28 133.95 56.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.604 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -53.37 -31.41 44.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.628 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -51.93 -44.71 64.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.498 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.526 ' H ' HG23 ' A' ' 44' ' ' THR . 81.1 tt0 -64.66 -32.86 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.301 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.3 mt -75.49 -43.43 49.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.47 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -59.13 -38.35 79.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.248 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -72.4 -49.31 34.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 80.6 mtp -60.04 -43.6 95.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.312 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 32' ' ' LEU . 24.1 mm -64.66 -46.11 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.502 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.3 t -72.75 -14.13 61.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.232 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -62.71 -46.86 86.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.119 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.623 HG21 HD13 ' A' ' 71' ' ' LEU . 42.4 t -94.2 -32.6 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.277 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.508 ' OD1' ' OD1' ' A' ' 60' ' ' ASN . 7.2 t70 -48.0 102.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.56 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.92 6.71 30.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' ' N ' ' A' ' 60' ' ' ASN . 47.0 p-10 -129.77 13.32 5.85 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.953 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.38 34.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.582 ' N ' ' O ' ' A' ' 58' ' ' ASP . 24.5 p-10 -74.92 -29.92 61.1 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.379 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.53 -3.28 36.87 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.532 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 20.8 p -139.75 155.57 47.25 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.102 0.477 . . . . 0.0 110.691 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.551 HD11 HD13 ' A' ' 52' ' ' ILE . 67.7 mt -102.11 125.84 56.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 121.077 0.465 . . . . 0.0 110.168 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.511 ' HG3' ' H ' ' A' ' 67' ' ' GLU . 16.6 pt-20 -88.75 173.21 8.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.398 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.7 -41.81 91.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.31 -41.5 89.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.744 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.511 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 98.5 mt-10 -72.77 -45.6 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.472 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -59.13 -44.88 92.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.911 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.3 tt -61.17 -55.9 26.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.419 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.9 t -63.43 -44.73 93.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.623 HD13 HG21 ' A' ' 55' ' ' VAL . 23.7 tp -47.04 -57.32 5.16 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.473 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mmm -73.32 -54.08 9.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.224 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.38 -30.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.795 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -79.09 -55.62 4.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.068 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.436 ' O ' HG23 ' A' ' 76' ' ' VAL . 70.8 mmtt -74.9 91.96 2.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.072 0.463 . . . . 0.0 110.571 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.724 ' O ' HG12 ' A' ' 76' ' ' VAL . 55.2 t -154.29 69.14 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.468 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -109.4 -90.05 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 0.0 110.517 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 80' ' ' ASP . 51.7 t0 -147.28 -30.25 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.606 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 5.3 p 62.24 -64.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.823 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 78' ' ' ASP . 31.8 t70 -165.52 148.58 7.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.548 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.67 -55.74 9.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.242 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -55.46 -24.45 31.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -76.44 -58.13 3.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.052 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.538 ' OE2' ' NH1' ' B' ' 38' ' ' ARG . 77.0 mm-40 -69.42 -35.04 75.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.874 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 85' ' ' LEU . 88.5 mt -66.46 -37.23 84.68 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.382 0.611 . . . . 0.0 111.467 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -84.61 -46.99 10.99 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.53 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.577 ' O ' HG23 ' A' ' 91' ' ' VAL . 71.0 mm-40 -58.45 -42.74 88.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.078 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.97 -57.38 10.91 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.162 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.26 -39.08 72.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.499 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -60.55 -38.72 85.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.542 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 87' ' ' GLU . 99.0 t -75.42 -52.72 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.945 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -56.39 -47.12 79.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.173 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.549 ' O ' ' N ' ' A' ' 96' ' ' GLN . 37.6 t0 -85.89 59.52 5.68 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -38.95 -59.26 0.99 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.573 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -64.09 -8.44 11.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.456 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.549 ' N ' ' O ' ' A' ' 93' ' ' ASP . 34.8 mt-30 43.11 58.68 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.245 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -98.06 -1.06 43.36 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.786 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.502 ' O ' ' ND2' ' A' ' 137' ' ' ASN . . . 98.07 -0.42 58.9 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 34.6 m-85 -144.9 150.47 37.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.022 0.439 . . . . 0.0 110.541 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.16 115.74 37.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.218 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 p -86.99 149.32 24.85 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.166 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -44.42 68.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.973 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.4 m -60.42 -44.44 95.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -61.22 -55.0 37.1 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.658 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 41.4 tp -61.27 -21.85 64.3 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.48 ' O ' HG22 ' A' ' 110' ' ' ILE . 62.4 ttp180 -83.39 -43.04 16.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.222 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -54.34 -52.69 60.76 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.845 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 109' ' ' MET . 8.2 t -62.04 -64.95 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.406 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.7 tpt -31.18 -76.44 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.322 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 111' ' ' ASN . 21.0 tt -48.15 -48.17 12.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.636 ' N ' HG23 ' A' ' 110' ' ' ILE . 25.6 t-20 -63.12 -9.8 12.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.323 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.502 HD11 HH11 ' B' ' 33' ' ' ARG . 1.1 mp -100.1 11.74 38.62 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.602 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.82 -70.95 0.23 Allowed Glycine 0 CA--C 1.521 0.452 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -52.38 115.07 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.078 0.466 . . . . 0.0 110.223 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -100.02 115.03 28.78 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.331 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.4 mt -115.1 134.57 55.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.77 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.8 p -63.9 172.62 2.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 118' ' ' ASP . 65.9 t0 -66.59 -32.18 73.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.407 ' H ' ' HG2' ' A' ' 119' ' ' GLU . 10.1 pt-20 -69.09 -43.31 74.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.66 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.482 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 50.4 tp10 -65.08 -44.39 89.07 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.708 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.64 -44.86 98.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.15 -19.93 65.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.045 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -77.53 -63.77 1.3 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.096 0.474 . . . . 0.0 111.98 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 125' ' ' ILE . 4.9 ppp? -53.76 -42.63 68.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.593 ' N ' ' SD ' ' A' ' 124' ' ' MET . 11.0 tp -63.18 -42.2 95.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.507 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.489 ' N ' HG23 ' A' ' 125' ' ' ILE . 3.0 tppp? -64.43 -36.16 83.26 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.018 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -77.27 -53.03 8.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.576 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.574 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -48.28 -42.07 29.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.129 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 67.6 t0 -78.78 115.3 18.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 109.741 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.73 -41.26 96.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.064 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.452 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -86.15 -1.5 57.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.729 -179.081 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 48.03 39.07 18.51 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 78.8 m-20 -71.61 -15.21 62.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.984 0.421 . . . . 0.0 110.335 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.02 -1.87 56.56 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -145.13 149.95 35.92 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.904 0.383 . . . . 0.0 110.309 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.9 t -108.15 123.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.849 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 98' ' ' GLY . 18.4 t-20 -89.38 159.25 17.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.429 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -49.86 -41.58 45.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.233 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.94 -52.06 65.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.452 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 94.1 mt-10 -61.42 -37.52 83.79 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -61.44 -49.0 78.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.136 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 146' ' ' MET . 41.8 t -57.55 -46.41 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.816 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -68.0 -30.15 69.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.042 0.449 . . . . 0.0 111.189 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.521 ' O ' ' SD ' ' A' ' 144' ' ' MET . 4.3 tpt -75.6 -40.55 56.29 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.613 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.467 ' O ' ' C ' ' A' ' 146' ' ' MET . 92.4 mmm -96.03 -28.91 14.41 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.523 ' N ' ' O ' ' A' ' 142' ' ' VAL . 94.8 mtp . . . . . 0 C--O 1.22 -0.493 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.186 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -60.52 -31.29 70.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -60.94 -49.7 76.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.353 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.482 ' NH1' ' OE2' ' A' ' 120' ' ' GLU . 16.9 mmt85 -63.74 -45.04 91.69 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.207 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.574 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 1.7 m95 -63.23 -45.26 92.44 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -67.72 -40.27 84.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.849 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.5 t -58.48 -44.02 89.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.936 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.494 ' O ' HG23 ' B' ' 30' ' ' VAL . 50.3 p -61.16 -44.05 97.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.161 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 59.4 t -67.5 -42.92 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.535 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 59.8 m -59.52 -44.85 93.05 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.393 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.69 -41.7 91.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 26' ' ' SER . 55.9 t -60.35 -42.16 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.413 ' HD2' HH11 ' B' ' 38' ' ' ARG . 19.6 tptm -59.28 -47.66 84.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.042 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -67.44 -34.98 78.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.015 0.436 . . . . 0.0 110.085 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.502 HH11 HD11 ' A' ' 112' ' ' LEU . 49.3 ttp180 -65.94 -55.42 16.93 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.415 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 28.54 92.36 0.01 OUTLIER 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.42 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -90.18 -5.9 55.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.024 0.44 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.503 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 76.9 mmt-85 -108.44 1.22 21.51 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.44 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.503 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.4 OUTLIER 63.3 47.2 4.11 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.456 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.538 ' NH1' ' OE2' ' A' ' 84' ' ' GLU . 13.6 ptp180 -40.24 -30.61 0.1 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.689 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' MET . . . . . 0.48 ' C ' ' SD ' ' B' ' 39' ' ' MET . 1.1 tmt? -68.87 -65.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.699 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.03 -43.37 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.368 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.6 p -55.95 -42.72 76.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.227 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.421 ' C ' ' OD1' ' B' ' 42' ' ' ASN . 48.5 t-20 -64.05 -41.7 97.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.358 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.632 179.808 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 7' ' ' GLU . 24.8 p . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 120.769 0.319 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 10' ' ' VAL . 97.4 mt-10 -48.66 -8.75 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.118 179.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 5' ' ' SER . 75.2 mt-10 -64.3 -52.79 56.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.262 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -52.88 -50.04 64.67 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.19 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.91 -43.63 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.024 0.44 . . . . 0.0 110.587 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 6' ' ' GLU . 14.0 t -59.25 -47.55 89.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.643 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -58.94 -50.15 75.15 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.292 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -61.84 -44.39 96.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.902 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -62.45 -38.74 90.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.394 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -66.12 -51.07 61.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.404 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.0 85.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.267 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 34.0 t80 -60.36 -49.63 76.83 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.191 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.78 -30.73 66.44 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.21 -50.41 68.17 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.167 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CE1' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -58.54 -30.92 67.48 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.312 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -96.42 84.87 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.929 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -62.2 -40.42 96.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.019 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' GLY . 54.3 p-10 -91.67 34.22 0.99 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.054 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.97 62.19 0.01 OUTLIER Glycine 0 N--CA 1.474 1.206 0 O-C-N 123.848 0.718 . . . . 0.0 112.421 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 10.9 p-10 -87.28 -22.49 25.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.4 . . . . 0.0 110.791 -178.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 112.24 -20.69 20.99 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.2 m -143.15 136.01 27.77 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.0 mt -76.78 124.05 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.8 -172.76 4.15 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.711 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.1 t -80.46 -49.01 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.535 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.78 -49.43 76.37 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.622 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -55.11 -45.29 75.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.093 0.473 . . . . 0.0 110.154 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.588 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.8 tp -60.31 -39.55 87.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.048 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.28 -45.85 92.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.811 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 m -58.21 -48.74 79.43 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.573 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.02 -46.58 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.933 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.494 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 80.9 mt -62.96 -47.19 93.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.614 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -43.85 -54.95 4.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.092 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.4 p -64.42 -36.88 85.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.432 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.525 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -75.98 -2.52 30.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.349 -179.065 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.512 ' CG ' ' N ' ' A' ' 41' ' ' GLN . 45.8 p-10 -157.83 -128.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.952 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.512 ' N ' ' CG ' ' A' ' 40' ' ' ASP . 87.0 mt-30 -122.68 -77.94 0.6 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.824 0.345 . . . . 0.0 110.648 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -154.48 106.07 2.38 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.686 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -77.68 -170.1 0.88 Allowed 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.193 1.928 . . . . 0.0 111.717 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 46' ' ' GLU . 29.7 m -120.86 151.88 39.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.294 0.568 . . . . 0.0 110.367 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.34 -40.82 77.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.2 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.448 ' H ' HG22 ' A' ' 44' ' ' THR . 79.8 mm-40 -61.2 -59.75 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.303 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.61 -32.53 65.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.0 0.429 . . . . 0.0 110.475 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 48' ' ' LEU . 39.5 mt -73.55 -53.25 10.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.994 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.8 -24.7 67.63 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.123 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 97.9 m-20 -68.66 -58.52 4.13 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.753 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.7 ttp -61.91 -39.06 90.71 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.173 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.688 HD13 HD11 ' A' ' 63' ' ' ILE . 6.2 mm -67.77 -23.47 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.543 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -87.97 -27.05 22.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.968 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -77.22 -7.81 56.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.358 . . . . 0.0 110.636 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.466 HG21 HD13 ' A' ' 71' ' ' LEU . 21.7 t -118.34 -33.75 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.515 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 52' ' ' ILE . 1.3 m-20 -67.86 106.68 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.158 0.504 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.13 6.5 32.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.762 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 59' ' ' GLY . 52.0 p30 -128.65 16.0 6.45 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.715 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.39 39.82 0.03 OUTLIER Glycine 0 N--CA 1.47 0.949 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 46.7 p-10 -82.39 -30.27 30.34 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.959 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 101.73 -0.19 52.47 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 p -135.93 157.5 46.69 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 122.659 -0.318 . . . . 0.0 110.192 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.688 HD11 HD13 ' A' ' 52' ' ' ILE . 73.0 mt -103.12 130.41 53.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.272 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.537 ' OE2' ' ND2' ' A' ' 60' ' ' ASN . 30.8 mp0 -96.04 163.74 13.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.328 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -51.05 -45.06 61.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.468 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -61.1 -39.31 89.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.425 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -72.48 -44.76 61.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -61.3 -45.46 94.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.504 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.2 tt -60.99 -51.79 67.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.012 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.3 t -64.34 -41.85 96.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.636 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.466 HD13 HG21 ' A' ' 55' ' ' VAL . 32.7 tp -50.43 -46.43 56.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.648 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.5 mmt -84.43 -61.58 1.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.964 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.8 -43.35 2.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.7 -63.63 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.723 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -121.7 105.4 10.37 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 77' ' ' LYS . 57.6 t -93.88 -102.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.812 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.616 ' NZ ' ' NH2' ' B' ' 38' ' ' ARG . 26.7 ttpp -173.61 83.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.277 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -133.95 18.41 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 1.6 t -106.67 33.14 4.06 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.465 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 79' ' ' THR . 64.9 m-20 -160.12 105.1 1.52 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.991 0.424 . . . . 0.0 110.531 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.96 -54.22 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.783 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -52.7 -19.26 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.129 0.49 . . . . 0.0 110.7 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.462 ' HG3' ' HZ3' ' A' ' 77' ' ' LYS . 46.3 tp10 -83.63 -57.14 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.053 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.96 -37.38 84.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.142 0.496 . . . . 0.0 110.298 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.23 -42.79 83.45 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.157 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -82.05 -43.42 17.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.026 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.527 ' OE2' ' NE ' ' B' ' 38' ' ' ARG . 74.1 tt0 -61.95 -37.33 84.34 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.82 -56.04 18.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.813 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -51.97 -41.69 62.33 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.646 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -61.43 -35.66 78.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 87' ' ' GLU . 75.4 t -76.92 -51.12 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.461 . . . . 0.0 110.817 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -63.49 -48.33 78.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.668 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.4 t0 -92.09 72.6 5.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.397 . . . . 0.0 109.978 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -44.29 -53.61 6.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.312 -178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 20.4 p-10 -74.99 -3.05 30.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.947 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.509 ' C ' ' H ' ' A' ' 98' ' ' GLY . 78.5 mt-30 39.23 28.81 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.918 0.389 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' ASP . 38.2 p-10 -58.07 -2.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.615 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 101.82 -7.6 55.45 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 35.9 m-85 -140.06 146.86 39.49 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.9 mt -91.71 115.53 30.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -82.91 146.93 28.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.178 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.0 -45.21 75.05 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.483 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.1 m -59.64 -42.68 93.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.954 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.84 -53.9 43.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.134 0.493 . . . . 0.0 110.126 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -61.45 -25.34 67.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.02 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -78.23 -51.39 10.26 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.886 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -47.85 -52.3 19.6 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.538 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.553 ' O ' ' N ' ' A' ' 111' ' ' ASN . 43.4 t -60.16 -63.06 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.16 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.474 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -29.6 -70.91 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.396 0.435 . . . . 0.0 110.556 -178.249 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 111' ' ' ASN . 14.6 tt -54.92 -36.17 36.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.75 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 108' ' ' VAL . 5.0 t-20 -50.98 -12.76 0.12 Allowed 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.573 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.598 HD12 HG22 ' B' ' 29' ' ' ILE . 4.1 mm? -89.91 -111.42 0.08 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.22 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.37 32.75 1.84 Allowed Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.47 ' O ' HD12 ' A' ' 116' ' ' LEU . 93.5 mt-10 -139.49 114.39 9.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.623 0.249 . . . . 0.0 110.382 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -87.65 111.65 21.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.179 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 114' ' ' GLU . 2.1 mp -119.01 130.96 55.94 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.96 0.41 . . . . 0.0 110.625 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 121' ' ' VAL . 51.5 p -73.37 177.28 5.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.24 -26.7 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.436 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.03 -54.14 16.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.738 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -57.67 -39.42 77.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.208 0.528 . . . . 0.0 110.066 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 117' ' ' THR . 93.2 t -66.89 -43.9 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.149 0.499 . . . . 0.0 110.027 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.48 -22.14 66.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.294 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -75.77 -60.67 2.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.359 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.528 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 15.1 ptm -53.49 -45.93 69.83 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.844 -178.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.528 ' N ' ' CG ' ' A' ' 124' ' ' MET . 19.3 tt -62.76 -38.98 83.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.694 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -65.12 -40.15 94.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.634 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -79.5 -54.67 5.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.702 0.287 . . . . 0.0 110.779 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.77 -42.84 65.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.168 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.5 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 35.9 t0 -89.66 113.21 24.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.134 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 41.0 mt -62.65 -51.07 68.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.372 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 21.6 p-10 -82.21 -12.22 58.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.805 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.649 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 61.39 -91.08 0.06 OUTLIER Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.425 -0.893 . . . . 0.0 111.274 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 132' ' ' GLY . 0.4 OUTLIER 58.07 -11.3 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 121.289 -0.164 . . . . 0.0 111.113 -179.14 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.649 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 92.99 9.88 60.4 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.432 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 2.3 tt0 -150.57 160.46 43.78 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 122.527 -0.396 . . . . 0.0 110.695 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.2 t -127.71 126.71 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -86.3 155.06 20.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -52.08 -42.58 63.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.384 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.87 -45.54 92.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.559 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.441 ' OE1' ' OD1' ' A' ' 131' ' ' ASP . 40.9 mt-10 -65.56 -39.1 91.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.114 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -60.94 -46.76 89.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.62 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.41 -46.14 95.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.356 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -60.64 -33.95 73.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.442 ' O ' ' SD ' ' A' ' 144' ' ' MET . 2.8 tmm? -79.42 -35.81 39.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.882 0.372 . . . . 0.0 110.354 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.402 ' O ' ' SD ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -61.09 -31.92 71.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.686 -179.748 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.862 179.564 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.706 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -60.43 -38.01 82.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.316 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -67.07 -39.48 86.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -62.23 -39.8 94.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.163 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -66.8 -51.63 53.41 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.138 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -65.82 -34.7 78.75 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.011 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 64.8 m -60.69 -46.47 90.24 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.675 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.454 ' O ' HG23 ' B' ' 30' ' ' VAL . 63.6 p -62.66 -44.81 95.32 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.521 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.67 -41.46 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.498 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.9 t -63.03 -43.88 97.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.598 HG22 HD12 ' A' ' 112' ' ' LEU . 63.9 mt -62.68 -41.01 90.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 26' ' ' SER . 26.3 t -57.19 -44.16 83.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.799 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.61 -43.41 98.87 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.641 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -68.51 -40.9 80.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.648 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.496 ' NH1' ' NH2' ' B' ' 35' ' ' ARG . 56.4 ttp180 -69.97 -45.26 67.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.906 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 36.86 53.08 1.09 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.86 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.496 ' NH2' ' NH1' ' B' ' 33' ' ' ARG . 37.4 ttm180 -57.1 -8.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.0 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.475 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 55.3 ttp180 -111.33 -3.57 15.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.091 0.472 . . . . 0.0 110.182 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.475 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.1 m-85 65.46 47.99 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.359 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.616 ' NH2' ' NZ ' ' A' ' 77' ' ' LYS . 72.9 mtp180 -40.08 -30.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.393 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -74.3 -70.06 0.42 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.849 -179.366 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.9 -24.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.304 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.0 p -76.69 -37.4 56.22 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.543 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 77.3 m-20 -104.07 12.23 34.29 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.557 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.666 ' C ' HD22 ' B' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.605 0 CA-C-O 117.856 -1.069 . . . . 0.0 112.269 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 C--O 1.219 -0.524 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -55.92 -20.35 15.61 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.032 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -61.14 -56.95 14.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.479 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -47.59 -39.74 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.963 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -66.63 -43.4 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.08 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.29 -47.98 88.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.832 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -54.34 -62.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.973 0.416 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -58.26 -41.67 84.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.423 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -63.23 -32.47 73.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.635 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -65.78 -49.21 69.14 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.192 0.52 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.03 85.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.219 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -60.42 -49.84 75.96 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.968 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.55 -30.08 61.7 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.85 -48.21 72.35 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.469 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CE1' HG11 ' A' ' 35' ' ' VAL . 31.8 m-85 -62.82 -35.19 79.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 37.0 t0 -89.64 76.65 7.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.193 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -66.07 -23.77 66.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.428 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 24' ' ' ASP . 45.5 p30 -109.97 31.46 5.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.035 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 23.39 46.13 0.01 OUTLIER Glycine 0 N--CA 1.474 1.224 0 O-C-N 123.796 0.685 . . . . 0.0 111.98 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 11.3 p-10 -74.91 -27.63 60.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.843 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.499 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 110.59 -10.76 30.41 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.523 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.471 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 16.8 m -148.72 169.61 20.04 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 122.508 -0.407 . . . . 0.0 110.315 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.1 mt -111.01 115.78 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 0.0 109.995 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 m -81.85 153.03 26.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.5 t -53.16 -47.1 56.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.668 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -63.25 -50.6 69.57 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.458 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 19' ' ' PHE . 59.2 tt0 -54.21 -42.77 70.15 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.141 0.496 . . . . 0.0 109.728 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 tp -63.01 -36.17 82.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.029 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.82 -46.13 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.384 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.17 -45.82 86.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.964 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.591 HG11 ' CE1' ' A' ' 19' ' ' PHE . 96.1 t -63.91 -45.81 95.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.469 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.09 -43.59 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.586 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -56.62 -44.6 81.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.416 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.595 ' C ' ' H ' ' A' ' 40' ' ' ASP . 94.3 p -55.57 -28.71 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.446 ' C ' ' H ' ' A' ' 41' ' ' GLN . 1.5 tp -65.83 16.54 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.607 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.595 ' H ' ' C ' ' A' ' 38' ' ' SER . 3.0 t70 75.3 -37.3 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.402 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.446 ' H ' ' C ' ' A' ' 39' ' ' LEU . 95.4 mm-40 -77.9 158.13 29.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.008 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -147.26 69.84 11.71 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.83 0.348 . . . . 0.0 110.298 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.49 -152.96 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.879 2.386 . . . . 0.0 111.576 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 47' ' ' GLU . 5.6 t -119.86 148.15 43.83 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.864 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -57.53 -22.65 45.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.38 -43.67 98.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.331 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' H ' HG23 ' A' ' 44' ' ' THR . 97.0 mt-10 -66.8 -29.02 68.85 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.044 0.45 . . . . 0.0 110.851 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 48' ' ' LEU . 8.3 mp -77.64 -47.38 19.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.895 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 53' ' ' SER . 40.7 mm-40 -66.79 -28.59 68.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.179 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.54 -54.16 26.81 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.076 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtm -65.62 -37.97 88.1 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.768 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.402 HG22 ' OD2' ' A' ' 56' ' ' ASP . 20.0 mt -75.45 -31.38 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.013 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 7.1 p -64.81 -49.22 71.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.155 0.502 . . . . 0.0 110.891 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -64.65 -41.69 95.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.764 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.8 t -78.34 -20.92 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.024 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' OD2' HG22 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -55.82 98.77 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.045 0.45 . . . . 0.0 110.421 -179.399 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.57 -17.7 35.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.528 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.7 p30 -128.24 22.94 6.05 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.971 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 28.45 39.3 0.01 OUTLIER Glycine 0 N--CA 1.472 1.036 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 47.2 p30 -79.6 -25.91 41.37 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.703 0.287 . . . . 0.0 110.894 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.532 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 97.35 -6.6 63.49 Favored Glycine 0 N--CA 1.463 0.463 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.0 p -126.29 167.02 16.05 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.3 mt -106.8 132.44 54.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.274 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.494 ' OE1' ' ND2' ' A' ' 60' ' ' ASN . 1.6 mp0 -101.37 155.69 17.9 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.344 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -42.76 -48.6 5.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.639 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -61.6 -34.6 75.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.184 0.516 . . . . 0.0 110.564 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 64' ' ' GLU . 96.5 mt-10 -75.04 -45.61 40.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.847 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -62.87 -35.93 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.716 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -62.79 -61.9 2.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.454 -179.446 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.3 t -62.03 -37.65 85.75 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.284 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.696 HD23 ' C ' ' A' ' 71' ' ' LEU . 6.6 tt -57.03 -45.41 83.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.634 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.7 tpt -86.52 -48.28 8.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.954 0.406 . . . . 0.0 111.037 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.02 -20.27 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.452 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 75' ' ' LYS . 13.2 tptt -59.02 -63.61 1.24 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.741 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.542 ' O ' ' C ' ' A' ' 76' ' ' VAL . 63.6 tttp -44.01 -90.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.698 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.542 ' C ' ' O ' ' A' ' 75' ' ' LYS . 4.1 t -4.99 108.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 O-C-N 124.706 1.254 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 44.3 tttp 78.53 99.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.381 0.425 . . . . 0.0 110.33 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 0.8 OUTLIER 165.99 -14.78 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 p -84.55 155.65 22.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.383 . . . . 0.0 110.836 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.55 170.22 5.28 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.4 0.619 . . . . 0.0 110.458 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.55 -52.58 24.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.351 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.4 mp0 -57.97 -19.41 30.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.637 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -78.03 -57.49 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.712 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -69.92 -35.55 74.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.102 0.477 . . . . 0.0 110.784 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.48 -38.85 85.01 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.338 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -82.13 -44.55 16.33 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.332 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 91' ' ' VAL . 64.8 mm-40 -60.89 -38.13 84.61 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.171 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.54 -57.34 8.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.903 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.41 ' CE1' ' OD2' ' A' ' 93' ' ' ASP . 57.0 t80 -53.72 -38.19 64.06 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.053 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -59.4 -35.72 74.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.034 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 87' ' ' GLU . 79.8 t -73.44 -53.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.857 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -62.3 -47.73 83.02 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.183 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.3 t0 -80.47 62.39 4.55 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.098 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' C ' ' H ' ' A' ' 96' ' ' GLN . 36.9 ttmt -43.96 -56.51 3.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.062 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.468 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -66.04 0.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.641 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' ASP . 17.2 pt20 34.42 42.75 0.07 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.515 0.509 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -89.89 1.99 55.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.752 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.91 -7.58 80.98 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -130.84 135.68 47.95 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.6 mt -94.69 116.51 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.898 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 m -87.8 152.19 22.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.563 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.99 -45.47 64.51 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.632 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.0 m -57.26 -37.9 73.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.556 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 64.3 mt-10 -66.36 -54.84 19.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.224 0.535 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.405 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 52.7 tp -63.67 -27.87 69.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.198 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.425 ' O ' HG22 ' A' ' 110' ' ' ILE . 77.8 ttt180 -74.85 -46.61 35.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.056 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -55.19 -49.49 71.78 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.501 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 109' ' ' MET . 48.8 t -61.71 -62.68 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.054 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.6 OUTLIER -32.71 -76.5 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.857 0.36 . . . . 0.0 111.199 -179.211 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.625 HG23 ' N ' ' A' ' 111' ' ' ASN . 19.7 tt -49.84 -46.7 22.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.988 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.625 ' N ' HG23 ' A' ' 110' ' ' ILE . 37.9 t30 -48.63 -10.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.532 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 110' ' ' ILE . 45.2 mt -103.42 -154.99 0.51 Allowed 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.616 ' N ' ' NH2' ' B' ' 33' ' ' ARG . . . -89.54 -16.34 57.05 Favored Glycine 0 CA--C 1.519 0.297 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -88.68 102.33 14.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.859 0.361 . . . . 0.0 110.114 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -90.69 110.25 21.42 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.5 mt -109.59 154.96 22.04 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.04 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 121' ' ' VAL . 53.1 p -91.5 176.98 6.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -65.12 -38.0 89.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.887 0.375 . . . . 0.0 110.928 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -68.01 -45.42 74.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.519 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 50.2 tp10 -64.26 -39.42 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.451 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 117' ' ' THR . 42.3 t -60.96 -46.72 96.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.221 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.91 -39.35 85.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.255 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -57.62 -62.26 1.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.405 ' CE ' ' CD1' ' B' ' 23' ' ' TRP . 26.5 ttt -48.48 -46.69 38.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.846 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.1 mm -56.82 -37.8 55.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.651 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -78.71 -23.84 45.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.046 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -84.01 -58.14 2.9 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.497 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.719 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -58.98 -42.56 90.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.496 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.547 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 46.8 t0 -81.44 115.72 20.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.152 0.501 . . . . 0.0 110.38 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 1.012 ' H ' HD22 ' A' ' 130' ' ' LEU . 0.5 OUTLIER -67.05 -52.65 39.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.342 -178.596 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 11.5 p-10 -86.0 -8.83 57.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.531 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.733 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 63.35 -81.83 0.04 OUTLIER Glycine 0 C--O 1.228 -0.233 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.19 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.44 ' CG ' ' C ' ' A' ' 132' ' ' GLY . 0.1 OUTLIER 52.8 -12.21 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 122.261 0.224 . . . . 0.0 110.93 -179.406 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.733 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 96.13 4.51 59.88 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.498 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 14.1 pt20 -151.32 161.16 43.21 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 122.516 -0.402 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.2 t -123.93 127.62 73.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-O 120.871 0.367 . . . . 0.0 111.374 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -88.78 163.75 15.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.352 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.53 -38.68 78.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.458 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.89 -51.14 71.3 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.131 0.491 . . . . 0.0 110.716 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.448 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 88.7 mt-10 -60.21 -37.45 80.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.142 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.37 -47.66 84.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.5 -58.29 5.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.835 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -60.22 -30.51 69.45 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.977 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.509 ' O ' ' SD ' ' A' ' 144' ' ' MET . 0.7 OUTLIER -72.29 -23.66 61.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.224 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.7 mmm -92.19 -19.36 22.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.471 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 55.5 mmm . . . . . 0 N--CA 1.464 0.268 0 O-C-N 123.63 0.581 . . . . 0.0 110.921 -179.441 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -59.49 -33.76 71.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -68.42 -39.08 81.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.613 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.519 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 83.6 mtt85 -61.83 -42.01 98.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.467 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.719 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.8 m95 -64.51 -51.04 64.96 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.172 0.51 . . . . 0.0 110.3 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -65.37 -37.83 88.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.768 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 73.0 m -60.87 -42.21 97.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.004 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.447 ' O ' HG23 ' B' ' 30' ' ' VAL . 68.6 m -59.7 -44.41 93.69 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.27 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -68.09 -44.83 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.887 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m -68.87 -40.72 79.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.403 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' B' ' 33' ' ' ARG . 61.3 mt -62.86 -42.71 97.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 26' ' ' SER . 29.5 t -60.91 -46.73 95.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.154 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -66.95 -45.97 76.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.758 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -67.37 -38.94 85.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.671 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.616 ' NH2' ' N ' ' A' ' 113' ' ' GLY . 57.8 ttm-85 -64.55 -44.08 91.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.617 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 38.49 -86.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.45 0.468 . . . . 0.0 110.258 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.615 ' NH2' ' NH1' ' B' ' 33' ' ' ARG . 36.7 ttm180 65.53 -32.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.496 0.497 . . . . 0.0 110.364 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.617 ' H ' ' C ' ' B' ' 34' ' ' ALA . 61.3 ttt180 -86.84 -6.82 58.68 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.507 ' CZ ' ' O ' ' B' ' 35' ' ' ARG . 0.5 OUTLIER 64.68 43.36 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.374 179.273 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' B' ' 37' ' ' PHE . 50.4 mtm180 -35.83 -34.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.099 0.476 . . . . 0.0 110.953 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' MET . . . . . 0.439 ' N ' ' O ' ' B' ' 37' ' ' PHE . 9.6 tpt -69.02 -69.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.787 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.33 -43.05 98.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.653 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.7 t -54.61 -45.26 73.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.107 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -64.14 -41.59 97.14 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.398 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.534 HD22 ' N ' ' B' ' 43' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.862 -1.066 . . . . 0.0 110.421 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.881 0.372 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 10' ' ' VAL . 48.5 mt-10 -52.0 -29.2 19.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.32 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -57.72 -57.19 13.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -50.46 -47.3 56.97 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.03 -43.7 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.604 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 6' ' ' GLU . 19.7 t -56.76 -47.39 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -57.33 -49.75 75.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -57.78 -42.69 84.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.062 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -60.05 -39.97 87.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.22 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -59.36 -51.85 68.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.156 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -40.48 70.05 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.245 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -61.56 -47.01 87.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.87 -38.49 64.99 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.75 -46.37 82.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.748 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.401 ' CE1' HG11 ' A' ' 35' ' ' VAL . 2.8 m-85 -67.06 -42.09 85.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.719 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.1 t0 -95.99 76.84 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.07 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.46 -30.38 64.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.129 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -102.1 32.69 3.37 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.59 64.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 O-C-N 123.486 0.491 . . . . 0.0 112.205 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . 50.1 m-20 -89.18 -25.06 22.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.16 9.43 22.15 Favored Glycine 0 N--CA 1.466 0.694 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.3 p -171.48 125.17 0.6 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.966 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mt -74.58 128.06 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 29' ' ' VAL . 32.3 m -96.54 154.5 17.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.099 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.402 ' N ' HG22 ' A' ' 28' ' ' THR . 43.6 t -47.33 -45.24 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.002 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.54 -54.14 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.332 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -50.84 -42.56 58.66 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -41.0 97.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.586 179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.02 -47.9 79.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.108 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 m -59.17 -55.0 40.59 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.61 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.401 HG11 ' CE1' ' A' ' 19' ' ' PHE . 87.5 t -60.73 -46.04 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.681 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 63.4 mt -59.75 -41.61 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.156 0.503 . . . . 0.0 109.826 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -63.79 -28.98 70.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.039 0.447 . . . . 0.0 109.903 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 t -86.47 23.83 1.53 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -112.47 8.78 19.5 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 3.1 t70 83.92 19.67 0.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.651 0.595 . . . . 0.0 110.825 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' B' ' 41' ' ' SER . 19.6 pt20 -150.71 160.49 43.81 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.343 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -143.49 75.23 16.72 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.27 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.43 165.16 31.23 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.953 2.435 . . . . 0.0 112.21 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.427 HG23 ' H ' ' A' ' 47' ' ' GLU . 8.8 t -74.61 149.29 40.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.538 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' LEU . 4.0 mt-10 -57.42 -42.06 81.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.275 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -42.17 -46.43 4.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.452 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' H ' HG23 ' A' ' 44' ' ' THR . 98.7 mt-10 -67.13 -28.79 68.43 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 45' ' ' GLU . 44.1 mt -78.24 -48.76 15.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.948 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -63.41 -29.41 70.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.274 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -70.62 -59.69 2.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.711 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -59.39 -41.32 89.1 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.773 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.6 mt -66.02 -28.33 43.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.229 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -87.64 -22.46 24.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.872 0.368 . . . . 0.0 110.388 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -70.98 -4.19 23.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.7 t -129.67 -39.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.727 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 67.4 t0 -46.74 105.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.39 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.35 5.06 32.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.573 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 1.7 p-10 -131.43 16.21 4.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.101 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.94 39.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.539 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 42.7 p-10 -82.62 -31.67 28.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.458 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 101.57 0.48 53.07 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.521 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 13.6 p -137.49 139.99 40.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.725 0.298 . . . . 0.0 110.304 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.2 mt -93.15 127.26 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.407 . . . . 0.0 110.48 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.43 161.06 16.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.415 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -46.59 -48.93 19.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.386 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -60.59 -38.38 84.44 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.375 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -73.69 -44.36 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.617 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -61.59 -44.18 97.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.216 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.6 tt -57.97 -59.6 5.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.325 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.1 p -60.3 -38.08 82.52 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.557 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 tt -55.27 -48.57 73.83 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.962 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -81.17 -47.1 13.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.285 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.21 -34.72 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.594 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -81.52 -58.71 2.9 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -75.87 106.37 7.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.356 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.772 HG12 ' H ' ' A' ' 77' ' ' LYS . 47.7 t -140.92 -123.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.772 ' H ' HG12 ' A' ' 76' ' ' VAL . 10.2 tttm -14.4 123.34 0.01 OUTLIER 'General case' 0 C--N 1.344 0.365 0 O-C-N 123.631 0.582 . . . . 0.0 110.951 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.476 ' C ' ' OG1' ' A' ' 79' ' ' THR . 39.0 t70 -99.08 -80.13 0.47 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.155 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.476 ' OG1' ' C ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 172.24 -166.82 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.268 -179.583 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 79' ' ' THR . 88.7 m-20 58.02 133.14 0.0 OUTLIER 'General case' 0 C--O 1.242 0.678 0 CA-C-O 121.83 0.824 . . . . 0.0 110.809 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.47 -50.94 14.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.24 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 57.6 mp0 -57.4 -15.65 7.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -84.21 -55.59 4.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -67.52 -38.81 84.8 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.156 0.503 . . . . 0.0 110.656 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.65 -30.35 68.02 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.707 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.6 -40.31 17.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.237 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.599 ' O ' HG23 ' A' ' 91' ' ' VAL . 77.7 mt-10 -57.09 -43.83 82.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.036 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.04 -58.17 6.1 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.488 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 68.1 t80 -53.69 -38.48 64.28 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.369 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -62.27 -38.3 88.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.728 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 87' ' ' GLU . 99.5 t -75.43 -52.16 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -62.13 -48.59 79.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.405 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 96' ' ' GLN . 10.0 t0 -88.28 62.37 6.66 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -39.89 -57.8 1.52 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.816 0.341 . . . . 0.0 111.516 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 38.3 p-10 -68.94 -7.99 40.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.542 ' N ' ' O ' ' A' ' 93' ' ' ASP . 36.6 mt-30 40.67 61.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.417 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -96.85 -1.21 46.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.583 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.424 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.08 -4.87 52.57 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.508 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 9.9 m-85 -142.92 148.47 36.98 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.756 0.312 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 mt -96.0 117.08 39.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -86.12 147.42 26.16 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.725 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.94 -43.89 66.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.6 p -60.29 -41.2 92.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.633 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.7 -50.54 62.52 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.179 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.5 tp -66.53 -23.32 66.21 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.345 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.466 ' O ' HG22 ' A' ' 110' ' ' ILE . 79.5 ttt-85 -83.2 -43.06 16.54 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.575 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -54.47 -51.25 65.61 Favored 'General case' 0 CA--C 1.519 -0.212 0 O-C-N 123.562 0.539 . . . . 0.0 109.776 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.5 ' O ' ' C ' ' A' ' 109' ' ' MET . 21.9 t -62.5 -63.28 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.5 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -30.07 -74.26 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.933 -178.763 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.563 HG23 ' N ' ' A' ' 111' ' ' ASN . 16.4 tt -49.19 -44.44 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.105 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.563 ' N ' HG23 ' A' ' 110' ' ' ILE . 63.8 t30 -49.7 -8.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.622 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.539 ' H ' ' C ' ' A' ' 110' ' ' ILE . 71.7 mt -97.59 10.51 39.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.506 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 77.98 45.73 10.12 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -135.38 130.2 34.55 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.205 0.526 . . . . 0.0 110.484 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -99.5 94.94 6.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.739 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.1 mt -100.2 131.86 45.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.324 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 p -70.42 160.57 32.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.243 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.62 -33.2 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.01 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 60.5 mp0 -68.78 -43.92 74.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.721 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -64.83 -45.19 87.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.48 -46.12 93.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.406 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.519 ' OE2' ' NZ ' ' A' ' 126' ' ' LYS . 36.9 tp10 -60.25 -27.4 67.19 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.319 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -70.94 -60.16 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.452 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.457 ' HE2' ' CE2' ' B' ' 23' ' ' TRP . 23.7 ttt -44.78 -54.43 6.34 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.765 0.317 . . . . 0.0 111.045 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 126' ' ' LYS . 4.4 tp -55.84 -43.0 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.582 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.519 ' NZ ' ' OE2' ' A' ' 122' ' ' GLU . 47.8 mttp -71.34 -28.44 64.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.427 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -79.1 -55.19 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.706 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -48.37 -41.88 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.536 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.2 t0 -79.07 107.83 12.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.24 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.635 HD23 ' H ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -79.61 -26.68 41.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 132' ' ' GLY . 5.5 p-10 -89.52 -0.6 57.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.545 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 52.51 106.91 0.01 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.451 ' OD2' ' O ' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -154.78 -22.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.614 0.245 . . . . 0.0 110.355 179.74 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.13 1.75 58.21 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.451 ' O ' ' OD2' ' A' ' 133' ' ' ASP . 7.7 mt-30 -146.95 156.3 42.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.38 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.36 122.62 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.419 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.508 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 21.3 t-20 -86.19 155.18 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.757 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -46.62 -44.33 18.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.129 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.3 -47.0 87.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.997 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.67 -39.68 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.286 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.97 -48.57 81.16 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.251 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.2 t -57.9 -47.34 86.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.268 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.27 -32.69 73.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.523 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.5 tpt -73.05 -38.7 66.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.715 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -26.31 67.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.68 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.8 mtp . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -60.01 -44.09 94.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.242 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -63.78 -42.86 97.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.419 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.483 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 0.2 OUTLIER -61.91 -46.73 88.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.641 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.706 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 0.8 OUTLIER -62.73 -47.85 81.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.994 179.517 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.56 -39.98 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.13 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 72.3 m -60.61 -41.98 95.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.113 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.549 ' O ' HG23 ' B' ' 30' ' ' VAL . 5.8 m -60.52 -44.26 96.22 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.187 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.61 -43.33 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.616 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -65.73 -45.22 83.48 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.322 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.52 -42.93 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.234 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 26' ' ' SER . 41.9 t -60.48 -40.51 84.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.646 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.583 ' NZ ' HH22 ' B' ' 38' ' ' ARG . 28.3 tptt -62.86 -42.84 99.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.432 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -77.01 -14.81 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.965 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' B' ' 34' ' ' ALA . 52.9 ttp180 -79.02 -60.63 2.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.453 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 35.6 48.89 0.48 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.031 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -58.97 -4.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.194 0.521 . . . . 0.0 110.098 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.453 ' H ' ' C ' ' B' ' 34' ' ' ALA . 88.9 mtm180 -104.09 -0.36 28.76 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.547 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.433 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.3 OUTLIER 58.97 50.06 8.81 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.187 179.65 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.583 HH22 ' NZ ' ' B' ' 31' ' ' LYS . 24.9 mtm180 -50.1 -33.99 20.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.158 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' B' ' 39' ' ' MET . 0.6 OUTLIER -61.74 -69.63 0.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.146 0.498 . . . . 0.0 110.744 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.91 -44.41 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.472 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.55 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 56.6 m -53.1 -44.09 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.093 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -64.75 -41.03 96.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.514 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.289 -179.673 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.898 0.38 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 10' ' ' VAL . 98.5 mt-10 -51.71 -22.05 3.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.453 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.53 -54.63 36.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.108 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -52.06 -47.4 65.14 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.45 -47.04 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.342 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 6' ' ' GLU . 22.7 t -57.75 -46.94 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -52.39 -65.56 0.54 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.148 0.499 . . . . 0.0 109.816 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -48.64 -39.4 24.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.426 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -60.88 -39.47 89.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.76 -51.13 66.27 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.65 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.73 71.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 41.9 t80 -63.12 -48.29 79.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.328 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.49 -34.13 54.71 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.78 -44.68 76.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.975 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CE2' ' CD1' ' B' ' 37' ' ' PHE . 14.9 m-85 -59.38 -37.08 77.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.471 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.528 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 95.5 m-20 -100.1 81.54 2.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.72 -19.6 64.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.361 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' GLY . 51.8 p30 -109.97 35.03 3.53 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.811 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.67 57.73 0.01 OUTLIER Glycine 0 N--CA 1.469 0.835 0 O-C-N 123.923 0.764 . . . . 0.0 111.837 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 12.3 p-10 -83.14 -27.99 29.71 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 106.66 9.1 31.42 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 10.4 m -161.27 164.88 29.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.847 0.356 . . . . 0.0 110.445 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -112.33 114.09 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.16 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.414 ' OG1' ' OE1' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -85.43 -168.03 2.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.336 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.8 t -86.57 -44.78 16.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.448 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -64.95 -40.26 94.74 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.403 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' OE1' ' OG1' ' A' ' 28' ' ' THR . 91.5 mt-10 -62.6 -49.09 76.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.856 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.575 HD22 HD11 ' A' ' 52' ' ' ILE . 6.5 tp -62.09 -37.88 86.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.892 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB1' HH12 ' A' ' 37' ' ' ARG . . . -60.75 -48.03 83.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.281 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.8 m -56.19 -46.71 79.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.202 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' A' ' 38' ' ' SER . 95.6 t -60.3 -42.51 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.365 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.69 -43.98 99.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.561 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.523 HH12 ' HB1' ' A' ' 33' ' ' ALA . 96.6 mtm-85 -62.6 -32.06 73.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 35' ' ' VAL . 29.9 p -56.02 -30.62 62.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.221 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.8 mp -77.06 15.58 0.68 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.742 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 38' ' ' SER . 91.3 m-20 62.77 46.6 5.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.715 0.634 . . . . 0.0 110.661 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 14.5 pt20 -154.01 129.44 9.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.364 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -123.09 80.89 51.39 Favored Pre-proline 0 N--CA 1.47 0.557 0 CA-C-O 121.082 0.467 . . . . 0.0 110.829 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.21 -153.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.003 2.469 . . . . 0.0 111.608 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 t -111.17 146.41 36.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.296 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -54.14 -22.62 11.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.572 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.06 -44.9 95.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.71 -29.72 70.29 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 120.973 0.416 . . . . 0.0 110.542 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 48' ' ' LEU . 9.5 mp -76.97 -55.52 5.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -59.92 -26.27 65.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.215 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 54' ' ' GLU . 45.5 t0 -68.97 -59.0 3.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.12 -41.08 99.27 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.544 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.799 HD13 HD11 ' A' ' 63' ' ' ILE . 28.1 mm -62.63 -30.1 48.48 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.0 m -96.48 -17.9 20.22 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.017 0.437 . . . . 0.0 110.928 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 50' ' ' ASP . 50.7 tp10 -61.9 -45.91 91.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.271 -178.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 56' ' ' ASP . 5.1 p -97.81 -44.91 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.892 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.523 ' N ' HG13 ' A' ' 55' ' ' VAL . 37.1 t0 -55.79 82.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.534 -178.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.58 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.01 -67.92 0.24 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.396 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 59' ' ' GLY . 4.2 p30 -66.01 16.18 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.58 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 13.08 60.14 0.01 OUTLIER Glycine 0 C--N 1.342 0.898 0 O-C-N 124.012 0.82 . . . . 0.0 111.219 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.55 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 8.7 p-10 -81.89 -2.67 51.98 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 120.859 0.361 . . . . 0.0 110.105 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.15 2.36 71.25 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.55 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 65.6 p -139.72 146.33 39.45 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.961 0.41 . . . . 0.0 110.489 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.799 HD11 HD13 ' A' ' 52' ' ' ILE . 84.1 mt -108.66 134.54 50.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.211 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.564 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 45.6 mp0 -92.15 161.59 14.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.603 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -53.97 -45.81 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.551 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 67' ' ' GLU . 39.3 p-10 -60.47 -33.98 73.36 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.804 0.335 . . . . 0.0 110.756 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.504 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.0 mt-10 -72.98 -50.31 24.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.806 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -61.07 -44.04 97.98 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.356 0.598 . . . . 0.0 110.364 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.497 ' C ' HD23 ' A' ' 69' ' ' LEU . 2.1 tt -55.94 -61.27 2.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.222 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 10.1 t -59.81 -38.69 82.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.051 0.453 . . . . 0.0 110.832 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 tp -47.61 -46.82 28.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.0 ttm -92.1 -50.54 5.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.29 -178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.08 -33.93 63.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.118 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 70' ' ' SER . 87.2 tttt -57.47 -66.02 0.53 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.301 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -121.68 103.16 8.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 110.939 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.4 t -92.4 -103.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.733 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.62 ' CG ' ' H ' ' A' ' 78' ' ' ASP . 0.4 OUTLIER -89.12 -107.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.62 ' H ' ' CG ' ' A' ' 77' ' ' LYS . 13.4 t0 74.85 22.68 1.86 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.577 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.1 t -146.0 140.29 26.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.468 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 82' ' ' GLU . 72.4 m-20 44.45 62.51 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 80' ' ' ASP . . . -35.59 -32.14 0.02 OUTLIER 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.386 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.619 ' O ' ' N ' ' A' ' 85' ' ' LEU . 44.0 tt0 -74.01 -72.26 0.28 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.109 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 82' ' ' GLU . 81.3 tt0 -34.04 -35.73 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.288 0.566 . . . . 0.0 110.005 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' GLU . 5.5 tm-20 -69.41 -46.23 67.32 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.513 178.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.619 ' N ' ' O ' ' A' ' 82' ' ' GLU . 74.7 mt -70.6 -9.39 56.79 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.53 178.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -83.51 -50.76 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.99 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' A' ' 88' ' ' ALA . 2.6 pp20? -64.81 -35.12 80.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.537 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -62.21 -47.89 82.44 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.97 -37.47 84.92 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.077 0.465 . . . . 0.0 110.051 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -58.84 -32.08 69.09 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.343 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.75 -52.96 15.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -56.4 -43.59 79.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.867 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 96' ' ' GLN . 41.1 t0 -95.83 77.07 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.134 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -41.93 -61.33 1.15 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.972 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 38.7 p-10 -65.89 -1.76 3.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 93' ' ' ASP . 18.7 pt20 33.79 44.42 0.08 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.566 0.542 . . . . 0.0 111.009 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -82.25 1.03 38.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.127 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.89 -9.19 61.72 Favored Glycine 0 N--CA 1.461 0.348 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -130.17 135.79 48.56 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.699 0.285 . . . . 0.0 110.563 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.1 mt -89.72 112.04 23.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.0 p -83.17 157.16 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.696 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.454 ' HB2' HD13 ' A' ' 125' ' ' ILE . . . -60.67 -42.71 97.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.603 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -58.65 -43.42 89.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -69.0 -53.04 22.67 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.943 0.401 . . . . 0.0 110.352 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.0 tp -58.02 -27.46 63.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.485 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.667 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.3 ttm180 -82.06 -40.72 21.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.26 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 111' ' ' ASN . 58.8 t-80 -54.37 -56.58 17.11 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.006 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' ' 109' ' ' MET . 3.5 t -61.31 -64.44 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.502 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.516 ' C ' ' O ' ' A' ' 108' ' ' VAL . 3.6 tpt -30.1 -73.44 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.394 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.554 HG23 ' N ' ' A' ' 111' ' ' ASN . 10.7 tp -52.81 -43.29 45.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.554 ' N ' HG23 ' A' ' 110' ' ' ILE . 66.4 t30 -46.9 -13.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.787 0.327 . . . . 0.0 110.585 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.497 ' N ' ' C ' ' A' ' 110' ' ' ILE . 62.4 mt -96.25 -161.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.258 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.39 0.93 83.58 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -70.45 -173.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.772 0.32 . . . . 0.0 110.426 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.615 ' C ' HD22 ' A' ' 116' ' ' LEU . 8.5 ptpt 178.72 75.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.334 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.658 ' N ' HD22 ' A' ' 116' ' ' LEU . 3.7 mm? -103.65 156.18 17.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.836 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 121' ' ' VAL . 67.7 p -78.35 -178.17 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.563 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -73.65 -30.82 63.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.018 0.437 . . . . 0.0 110.661 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 119' ' ' GLU . 58.1 mp0 -76.14 -41.15 50.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -65.99 -42.31 89.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.667 HG11 ' HE ' ' A' ' 106' ' ' ARG . 62.6 t -63.09 -49.3 83.92 Favored 'Isoleucine or valine' 0 C--O 1.246 0.869 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.35 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.36 -28.55 68.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.171 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 123' ' ' GLN . 0.1 OUTLIER -67.41 -53.06 32.52 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.708 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.4 ' HE3' ' CD1' ' B' ' 23' ' ' TRP . 26.4 ttt -50.97 -59.07 4.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.819 0.343 . . . . 0.0 110.647 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.454 HD13 ' HB2' ' A' ' 102' ' ' ALA . 10.0 tt -54.35 -37.11 36.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.631 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.94 -44.92 87.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.762 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.36 -46.54 66.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.672 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -58.17 -25.77 61.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.516 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 47.9 t0 -98.04 103.11 15.02 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.933 0.397 . . . . 0.0 110.016 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.591 ' N ' HD12 ' A' ' 130' ' ' LEU . 10.2 mp -62.0 -49.1 77.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 2.8 p30 -77.46 -5.23 49.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.654 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 46.38 44.06 15.25 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.538 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.526 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 57.7 m-20 -69.25 -7.53 37.68 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.45 -3.28 53.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -152.99 176.27 12.05 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 120.854 0.359 . . . . 0.0 110.365 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.5 t -124.3 125.78 71.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.951 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -90.97 156.28 18.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.732 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -48.67 -42.76 35.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.193 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.98 -48.67 80.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.919 0.39 . . . . 0.0 110.247 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.2 -40.72 98.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -61.09 -49.7 76.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.974 0.416 . . . . 0.0 110.583 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.15 -43.97 94.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.258 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.28 -35.89 80.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.265 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.482 ' O ' ' SD ' ' A' ' 144' ' ' MET . 0.4 OUTLIER -72.81 -30.0 63.71 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.938 0.399 . . . . 0.0 111.129 179.55 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 92.2 mmm -89.46 -29.01 19.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.54 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 87.7 mmm . . . . . 0 N--CA 1.465 0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.94 -179.543 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -62.02 -38.96 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.444 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.82 -39.81 87.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.364 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -62.01 -39.77 93.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.031 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.672 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 2.0 m95 -63.05 -51.93 64.76 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.288 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -65.24 -34.34 78.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.104 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.5 t -60.4 -45.79 92.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.481 ' OG ' ' SD ' ' A' ' 109' ' ' MET . 16.3 m -59.82 -46.43 89.24 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.609 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 90.1 t -68.82 -42.55 82.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.524 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 63.8 p -64.28 -40.45 95.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' B' ' 33' ' ' ARG . 51.5 mt -61.95 -42.83 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.275 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.86 -44.4 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.154 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -76.63 -25.28 53.64 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.747 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -90.98 -13.69 32.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.118 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' B' ' 35' ' ' ARG . 69.3 ttt180 -109.49 -47.52 3.37 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.424 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.542 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 63.37 -66.54 0.1 Allowed 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 123.275 0.36 . . . . 0.0 110.497 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' B' ' 33' ' ' ARG . 67.9 ttp85 68.45 -37.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.425 0.453 . . . . 0.0 110.395 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.542 ' H ' ' C ' ' B' ' 34' ' ' ALA . 87.0 mtt180 -97.71 -6.36 33.16 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.692 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.522 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER 66.0 57.37 0.8 Allowed 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 121.006 0.431 . . . . 0.0 110.358 179.379 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 38' ' ' ARG . 36.8 mtp-105 -46.96 -39.47 12.45 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.911 0.386 . . . . 0.0 110.421 -178.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -66.64 -67.96 0.41 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.49 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 93.7 mt -60.79 -42.85 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.115 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' B' ' 37' ' ' PHE . 87.8 p -51.46 -45.37 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.119 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -63.01 -42.08 99.74 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.618 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.556 HD22 ' N ' ' B' ' 43' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.216 -0.671 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.721 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.91 0.386 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 10' ' ' VAL . 97.2 mt-10 -54.88 -23.3 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.402 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -59.93 -28.06 67.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.245 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -76.32 -52.73 9.36 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.12 -39.95 84.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.056 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 6' ' ' GLU . 41.5 t -61.79 -49.48 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.196 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.554 ' CG ' ' HE ' ' B' ' 33' ' ' ARG . 50.7 t0 -51.98 -51.73 55.29 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.244 0.545 . . . . 0.0 110.069 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -61.83 -37.26 83.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.278 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -57.93 -41.78 83.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.186 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.07 -47.86 82.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.043 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.31 82.3 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.338 0.589 . . . . 0.0 110.278 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.44 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 18.9 t80 -59.01 -46.48 88.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.329 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.92 -38.55 65.38 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.32 -44.39 96.61 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.239 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.501 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 21.6 m-85 -70.52 -40.34 73.54 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.862 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 11.4 t0 -92.5 81.99 4.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.536 ' NZ ' ' CG2' ' A' ' 35' ' ' VAL . 3.5 mptp? -59.24 -42.18 90.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.264 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 23' ' ' GLY . 2.8 p30 -92.16 32.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.525 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.74 57.5 0.01 OUTLIER Glycine 0 N--CA 1.473 1.151 0 O-C-N 123.63 0.581 . . . . 0.0 111.761 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 22' ' ' ASP . 57.9 m-20 -78.28 -28.6 47.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.457 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.421 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 110.51 11.89 18.41 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 11.6 m -160.0 164.35 33.35 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.308 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.8 mt -116.42 126.6 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.963 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.509 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -100.82 -165.17 1.18 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 -179.778 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.509 ' H ' HG22 ' A' ' 28' ' ' THR . 80.9 t -90.0 -38.83 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.825 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -67.85 -39.0 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -69.14 -51.15 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.95 0.405 . . . . 0.0 110.061 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 19' ' ' PHE . 6.0 tp -61.63 -36.25 80.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.177 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.97 98.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.144 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.8 m -59.2 -51.4 70.13 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.972 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.536 ' CG2' ' NZ ' ' A' ' 21' ' ' LYS . 79.4 t -61.38 -43.12 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.085 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.9 mt -60.15 -44.54 95.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -65.53 -21.73 66.64 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.983 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -94.59 19.69 9.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.332 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -109.19 10.87 25.75 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.45 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 3.1 t70 77.88 23.33 0.78 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.421 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -152.62 154.74 35.97 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -135.63 77.93 50.95 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -65.61 154.85 71.96 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 123.178 2.585 . . . . 0.0 111.732 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.1 t -67.62 141.76 56.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.386 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.53 -34.36 72.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.431 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -54.03 -56.78 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.473 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.492 ' H ' HG23 ' A' ' 44' ' ' THR . 82.8 tt0 -66.23 -34.62 78.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.919 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' C ' HD23 ' A' ' 48' ' ' LEU . 4.4 tt -61.4 -53.22 59.42 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.039 0.447 . . . . 0.0 110.443 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.69 -37.89 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.41 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -66.69 -41.9 87.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.688 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -61.13 -45.81 93.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.785 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.53 -41.77 91.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.1 p -65.78 -33.86 76.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.01 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -59.5 -40.65 87.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.733 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.466 HG21 HD13 ' A' ' 71' ' ' LEU . 84.7 t -87.34 -37.73 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.449 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 36.0 t0 -76.31 94.4 3.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.525 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -42.53 -63.51 0.76 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.47 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.573 ' OD1' ' ND2' ' A' ' 60' ' ' ASN . 4.6 p30 -69.08 12.63 0.14 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 11.59 60.29 0.01 OUTLIER Glycine 0 N--CA 1.476 1.328 0 O-C-N 124.245 0.966 . . . . 0.0 111.218 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.573 ' ND2' ' OD1' ' A' ' 58' ' ' ASP . 5.8 p30 -87.12 -9.36 55.5 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.696 0.284 . . . . 0.0 110.394 -179.039 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.3 5.38 62.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.7 p -133.89 128.03 33.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.76 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.6 mt -94.9 117.78 39.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.992 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -83.01 158.76 22.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.341 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.408 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 22.9 t80 -45.59 -55.23 6.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.022 0.439 . . . . 0.0 110.625 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -53.37 -36.2 61.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.916 0.389 . . . . 0.0 110.754 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -73.47 -43.89 59.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -59.49 -47.95 83.53 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.272 0.558 . . . . 0.0 110.493 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 73' ' ' ALA . 10.8 mp -62.63 -46.98 85.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.41 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.5 p -55.75 -44.9 78.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.765 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.466 HD13 HG21 ' A' ' 55' ' ' VAL . 28.3 tp -50.86 -58.84 4.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.919 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.6 mtt -79.17 -45.75 19.31 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.879 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 69' ' ' LEU . . . -47.43 -30.3 3.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.75 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -53.39 -70.62 0.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.789 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 76' ' ' VAL . 19.3 pttp 176.34 69.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 77' ' ' LYS . 9.9 p -38.1 157.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.996 0.427 . . . . 0.0 110.173 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.494 ' N ' HG22 ' A' ' 76' ' ' VAL . 6.0 tppt? -119.9 -39.81 2.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.29 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.531 ' CG ' ' HE ' ' B' ' 38' ' ' ARG . 12.2 t0 83.58 -69.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.582 0.551 . . . . 0.0 110.544 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.8 -72.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.464 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -153.53 166.48 32.59 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.672 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.3 36.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.961 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.589 ' O ' ' N ' ' A' ' 85' ' ' LEU . 95.5 mt-10 -72.28 -68.34 0.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.379 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLU . 60.9 mm-40 -34.76 -39.25 0.09 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.616 0.722 . . . . 0.0 109.985 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -69.33 -46.85 66.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.073 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' A' ' 82' ' ' GLU . 42.2 mt -62.32 -13.8 32.58 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 110.332 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -83.06 -46.58 12.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.572 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.35 -45.86 91.97 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.21 -49.55 75.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.675 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -58.9 -41.62 87.66 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.934 0.397 . . . . 0.0 110.439 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -59.58 -36.51 76.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.386 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.0 t -72.7 -60.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.141 0.496 . . . . 0.0 110.284 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -49.75 -42.12 45.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' A' ' 96' ' ' GLN . 26.2 t0 -88.62 58.86 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.045 179.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.418 ' NZ ' ' CD2' ' A' ' 107' ' ' HIS . 53.1 mtpt -39.38 -58.58 1.21 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 5.4 p30 -63.41 -13.38 39.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.654 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 93' ' ' ASP . 74.4 mt-30 48.57 69.08 0.6 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.507 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.462 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 10.3 m120 -107.83 -1.72 20.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.315 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.36 2.09 62.13 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.462 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 1.1 m-85 -145.47 150.69 36.95 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.9 mt -96.98 111.0 26.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 p -84.05 154.73 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.107 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.6 -44.24 80.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.1 p -61.23 -44.82 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.94 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.446 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 37.4 mt-10 -61.31 -53.63 54.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.099 0.476 . . . . 0.0 109.987 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.6 tp -62.35 -21.5 65.36 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.26 0.552 . . . . 0.0 110.429 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.593 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.1 ttm180 -83.3 -40.71 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.983 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.543 ' C ' ' HD1' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -56.91 -52.47 65.05 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 112' ' ' LEU . 10.8 t -60.82 -64.46 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.25 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -32.57 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.532 0.52 . . . . 0.0 111.16 -179.015 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.583 HG23 ' N ' ' A' ' 111' ' ' ASN . 10.8 tp -53.22 -44.93 54.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.788 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.583 ' N ' HG23 ' A' ' 110' ' ' ILE . 55.7 t30 -69.23 -8.7 48.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.487 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 108' ' ' VAL . 11.1 tp -86.92 18.01 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.825 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.76 -10.71 37.49 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -86.04 141.96 29.09 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.488 ' C ' HD22 ' A' ' 116' ' ' LEU . 24.5 mtmm -104.49 94.31 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.642 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.493 HD11 ' NE ' ' B' ' 22' ' ' ARG . 3.9 mm? -108.66 130.58 55.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.252 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.7 p -68.66 172.57 6.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.236 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 45.4 p-10 -72.33 -34.24 67.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -68.8 -39.54 80.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.588 179.76 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.498 ' OE1' ' NH1' ' B' ' 22' ' ' ARG . 6.9 mm-40 -63.61 -46.14 87.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.174 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.593 HG11 ' HE ' ' A' ' 106' ' ' ARG . 71.3 t -62.52 -47.12 94.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.47 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.64 -22.74 67.05 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.352 0.596 . . . . 0.0 110.383 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -75.45 -57.88 3.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.112 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.546 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 10.1 ttp -55.12 -48.89 73.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.489 HG23 ' N ' ' A' ' 126' ' ' LYS . 4.4 tp -58.8 -42.38 85.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.494 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.489 ' N ' HG23 ' A' ' 125' ' ' ILE . 55.4 mttp -69.13 -37.82 78.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.237 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -79.02 -61.95 1.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.195 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -45.19 -30.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.61 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 41.5 t0 -87.28 118.0 26.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.45 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.96 ' H ' HD22 ' A' ' 130' ' ' LEU . 1.3 mm? -65.95 -48.43 71.35 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.461 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 13.3 p-10 -92.97 -5.42 50.74 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.091 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.53 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 67.43 -125.65 23.98 Favored Glycine 0 C--O 1.225 -0.411 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 132' ' ' GLY . 1.7 m-20 79.73 8.95 1.57 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.765 0.317 . . . . 0.0 110.492 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.41 13.19 49.1 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.452 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 9.4 tt0 -144.72 136.73 25.96 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.7 t -113.2 126.44 70.62 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.206 0.527 . . . . 0.0 110.431 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -91.84 150.0 21.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.569 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.472 ' CE2' HG21 ' A' ' 142' ' ' VAL . 58.9 t80 -44.64 -40.32 5.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.298 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.47 -51.45 69.81 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.414 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.443 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 91.0 mt-10 -60.88 -39.68 90.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.059 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -59.23 -50.98 71.95 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.688 0.756 . . . . 0.0 110.093 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.472 HG21 ' CE2' ' A' ' 138' ' ' TYR . 54.3 t -56.75 -42.32 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.772 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -56.27 -38.3 70.99 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.648 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.9 ttt -62.64 -40.35 96.74 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.97 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 16.0 mmm -78.9 -15.19 58.65 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.581 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 53.8 mtt . . . . . 0 CA--C 1.514 -0.414 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.312 -179.422 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 74.6 ttt-85 -59.51 -47.37 85.8 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.128 0.49 . . . . 0.0 110.586 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -68.0 -36.28 79.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.352 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.498 ' NH1' ' OE1' ' A' ' 120' ' ' GLU . 34.6 ttm180 -61.96 -44.43 96.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.546 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 0.5 OUTLIER -60.14 -47.91 83.92 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.367 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -65.86 -34.57 78.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.705 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.0 t -61.83 -44.44 96.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.834 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.552 ' O ' HG23 ' B' ' 30' ' ' VAL . 20.4 p -61.18 -42.83 99.27 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.148 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -68.89 -42.11 82.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.401 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 68.1 p -67.46 -45.95 74.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.247 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.64 -41.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 26' ' ' SER . 26.7 t -60.62 -44.43 96.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.031 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -62.66 -40.07 95.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.234 -0.586 . . . . 0.0 109.96 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.56 -38.28 80.63 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.343 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.554 ' HE ' ' CG ' ' A' ' 11' ' ' ASP . 2.6 ttm180 -64.4 -43.64 93.8 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.824 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 40.06 61.45 1.5 Allowed 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -74.87 29.42 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.188 0.518 . . . . 0.0 109.964 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' B' ' 34' ' ' ALA . 25.7 ttm180 -148.93 -7.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.124 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.479 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.3 m-85 67.09 51.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.322 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.531 ' HE ' ' CG ' ' A' ' 78' ' ' ASP . 43.6 mtm-85 -50.35 -36.43 32.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.412 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 7.7 tpt -62.97 -70.27 0.22 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 110.932 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.413 HD13 HD11 ' A' ' 32' ' ' LEU . 69.5 mt -62.82 -43.33 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.607 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 35.4 t -53.55 -45.54 69.91 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.224 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.82 -40.28 94.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.267 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.499 ' N ' HD12 ' B' ' 43' ' ' LEU . 11.2 mp . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.238 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 121.05 0.453 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.527 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 42.0 mp0 -55.97 -22.06 24.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.402 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.2 -54.62 38.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 4.9 mp0 -48.54 -39.29 22.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.585 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.5 mp -69.66 -43.22 80.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.357 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.7 t -61.63 -49.85 82.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.17 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.02 -48.87 78.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.021 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.8 -42.29 88.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.359 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -64.74 -35.12 80.03 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.415 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.66 -49.53 77.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.258 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.503 ' HB1' ' HE1' ' B' ' 37' ' ' PHE . . . -62.43 -37.08 84.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -60.11 -51.1 71.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.581 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.69 -31.14 74.24 Favored Glycine 0 N--CA 1.453 -0.172 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.64 -52.61 62.65 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.242 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.605 ' CE1' HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -60.39 -29.97 69.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.971 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -94.76 81.55 3.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.624 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -73.4 -16.16 61.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.616 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 1.9 p30 -112.63 26.99 10.02 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.741 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 21.75 61.49 0.02 OUTLIER Glycine 0 C--N 1.34 0.753 0 O-C-N 123.785 0.678 . . . . 0.0 111.897 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 53.1 m-20 -89.91 -27.65 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.102 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.13 -1.98 28.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.4 p -159.96 165.91 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.626 0.25 . . . . 0.0 110.379 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 52.8 mt -109.55 111.8 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -80.37 -168.06 1.56 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 -179.629 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.459 ' H ' HG22 ' A' ' 28' ' ' THR . 67.9 t -81.4 -50.23 16.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.39 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -62.1 -45.01 95.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.172 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -53.79 -48.06 70.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.652 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.605 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.6 tp -61.91 -41.86 98.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.496 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.25 -51.95 66.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.359 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.4 m -56.18 -47.86 77.47 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.053 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.541 HG11 ' CE1' ' A' ' 19' ' ' PHE . 72.2 t -61.83 -44.08 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.113 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 40' ' ' ASP . 66.6 mt -62.36 -42.94 97.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.204 179.218 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.519 ' O ' ' O ' ' A' ' 40' ' ' ASP . 61.1 ttm-85 -51.55 -57.64 8.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.051 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 t -62.72 -40.79 98.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.955 0.407 . . . . 0.0 110.106 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 37.5 tp -77.22 -3.49 39.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.982 0.896 . . . . 0.0 110.026 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 36' ' ' ILE . 29.5 t0 -158.12 -140.97 0.08 Allowed 'General case' 0 C--N 1.311 -1.072 0 O-C-N 121.51 -0.744 . . . . 0.0 110.589 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.507 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 97.9 mm-40 -107.69 -87.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.143 0.497 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -168.76 63.23 0.53 Allowed Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.758 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.91 140.42 66.48 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.58 2.186 . . . . 0.0 111.65 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 47' ' ' GLU . 6.1 t -51.23 133.53 28.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.204 0.526 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -52.14 -19.75 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.431 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -61.69 -44.94 95.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.722 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' H ' HG23 ' A' ' 44' ' ' THR . 80.6 tt0 -67.0 -30.76 70.96 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.375 0.607 . . . . 0.0 110.455 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.492 HD22 HD13 ' A' ' 36' ' ' ILE . 15.6 mt -75.71 -45.78 34.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.975 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -69.06 -23.68 64.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.091 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.49 -57.01 6.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.577 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -66.58 -37.65 85.36 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.682 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.671 ' CD1' HD11 ' A' ' 63' ' ' ILE . 5.7 mm -72.46 -13.11 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.727 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -91.75 -36.05 13.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.145 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.6 -40.09 96.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.993 0.425 . . . . 0.0 111.367 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.9 t -84.52 -11.74 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.94 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -80.2 99.38 7.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.695 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.77 3.97 46.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.764 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -129.14 21.61 5.74 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.825 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.1 39.47 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.582 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 52.0 p-10 -87.76 -27.23 22.47 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 121.2 -0.2 . . . . 0.0 110.636 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 87.09 9.13 74.17 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.483 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 22.4 p -134.11 160.75 36.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.916 0.388 . . . . 0.0 110.463 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.671 HD11 ' CD1' ' A' ' 52' ' ' ILE . 70.5 mt -109.59 131.12 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.084 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.556 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 52.6 mp0 -107.22 160.04 15.89 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.221 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -44.68 -48.56 10.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.694 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.544 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 15.5 p-10 -60.85 -34.7 75.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.067 0.46 . . . . 0.0 110.298 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HB2' ' H ' ' A' ' 64' ' ' GLU . 92.6 mt-10 -77.27 -43.61 32.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.592 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.4 -45.61 93.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.865 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.8 tt -62.39 -46.35 89.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.182 0.515 . . . . 0.0 109.938 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.2 t -60.67 -41.61 95.41 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.212 0.529 . . . . 0.0 110.8 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.8 tp -56.71 -53.12 61.37 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.462 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.517 ' O ' ' O ' ' A' ' 75' ' ' LYS . 11.2 mmt -70.79 -38.81 73.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.9 -32.02 8.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.523 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -81.12 -40.2 24.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.631 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.517 ' O ' ' O ' ' A' ' 72' ' ' MET . 13.6 mptt -88.43 144.84 26.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.036 0.446 . . . . 0.0 109.886 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 t 68.43 40.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.504 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -158.38 109.76 2.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.898 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 77.57 21.44 1.0 Allowed 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.79 0.681 . . . . 0.0 110.453 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 70.8 p -62.42 -83.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.675 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.409 ' N ' ' OG1' ' A' ' 79' ' ' THR . 27.1 t70 -175.03 149.68 1.12 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.389 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.51 -54.87 14.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.737 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -54.56 -20.78 8.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.648 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -79.0 -58.14 3.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.164 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.51 -35.21 77.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.42 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.72 -41.85 95.67 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -80.91 -39.41 26.31 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.262 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 91' ' ' VAL . 9.8 tm-20 -61.19 -39.66 91.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.23 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.95 -59.1 4.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.834 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -55.03 -31.82 61.39 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.353 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -64.0 -39.91 95.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.428 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 87' ' ' GLU . 90.4 t -73.54 -47.32 45.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.134 0.493 . . . . 0.0 111.126 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -63.4 -49.37 74.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.695 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.428 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 21.5 t0 -77.37 62.03 2.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.978 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -43.92 -58.39 2.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.405 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 0.5 OUTLIER -71.36 3.68 3.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 111.005 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.408 ' HB3' HE21 ' A' ' 96' ' ' GLN . 9.1 mm100 46.09 25.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.016 0.436 . . . . 0.0 110.579 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.3 p-10 -65.71 -7.04 13.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.78 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.428 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 88.46 -0.09 82.8 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -136.7 140.9 43.01 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.8 mt -95.84 117.83 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.091 0.472 . . . . 0.0 110.073 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 t -88.19 145.98 25.62 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.77 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.11 -45.93 44.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.225 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.5 t -59.86 -43.17 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 110.38 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.405 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 44.3 mt-10 -63.83 -51.04 66.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.169 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 105' ' ' LEU . 2.4 tp -65.61 -26.85 68.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.896 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.525 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.6 ttm180 -78.34 -44.03 26.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.099 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -55.93 -49.7 72.77 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.588 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 109' ' ' MET . 55.1 t -62.88 -62.38 1.21 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.914 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -31.72 -71.17 0.06 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.799 0.333 . . . . 0.0 110.984 -178.862 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.58 HG23 ' N ' ' A' ' 111' ' ' ASN . 16.6 tt -53.14 -44.3 51.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.533 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.58 ' N ' HG23 ' A' ' 110' ' ' ILE . 62.2 t30 -48.23 -11.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.634 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.553 ' O ' ' NH2' ' B' ' 33' ' ' ARG . 74.9 mt -86.97 12.9 10.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.222 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.03 5.48 75.92 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -93.33 138.25 31.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.811 0.339 . . . . 0.0 110.432 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -84.58 93.43 8.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.413 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.471 ' N ' HD22 ' A' ' 116' ' ' LEU . 4.3 mm? -97.61 129.97 44.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.446 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.7 p -90.86 162.14 14.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.246 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.77 -33.97 77.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.342 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.16 -47.44 74.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.614 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.0 -43.71 95.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.577 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.525 HG11 ' HE ' ' A' ' 106' ' ' ARG . 90.1 t -62.36 -43.83 98.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.576 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -67.26 -24.41 65.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.542 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.15 -59.19 2.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.052 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.623 ' SD ' ' N ' ' A' ' 125' ' ' ILE . 3.7 ppp? -58.06 -43.47 86.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.623 ' N ' ' SD ' ' A' ' 124' ' ' MET . 3.5 tp -62.8 -36.96 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-O 121.084 0.469 . . . . 0.0 110.174 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -63.67 -39.59 94.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.231 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -75.49 -46.49 32.04 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.491 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -61.47 -39.99 92.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.081 0.467 . . . . 0.0 110.278 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 54.0 t0 -79.23 105.82 10.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.075 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.82 -43.3 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.191 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 10.0 p30 -89.12 1.96 54.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.633 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 45.4 33.51 4.33 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.511 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.1 p-10 -71.21 -11.23 60.82 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.617 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.28 6.28 57.74 Favored Glycine 0 N--CA 1.465 0.586 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -148.8 160.35 43.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.837 0.351 . . . . 0.0 110.348 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.11 125.49 72.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.367 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 1.3 m-20 -91.42 172.92 8.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.315 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -59.43 -40.34 86.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.421 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -60.29 -54.48 45.18 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.048 0.451 . . . . 0.0 110.698 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -60.45 -34.85 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.262 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.45 -46.46 89.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.65 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.6 t -59.8 -45.65 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.261 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -59.92 -38.03 81.16 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.808 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 74.9 mmm -67.91 -30.39 69.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.15 0.5 . . . . 0.0 110.381 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.7 mmt -74.09 -29.34 61.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.197 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.2 mmm . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.8 -179.66 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.416 ' H ' ' HG2' ' B' ' 20' ' ' ARG . 7.2 ptm180 -60.14 -36.53 77.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.318 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -64.84 -41.65 95.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.542 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -62.36 -38.6 90.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.491 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 3.0 m95 -66.45 -51.08 60.67 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-O 121.204 0.526 . . . . 0.0 110.136 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -65.82 -36.81 84.55 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.145 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 68.9 m -60.19 -44.47 95.08 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.111 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -60.16 -44.35 95.07 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.231 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.466 ' O ' HG12 ' B' ' 30' ' ' VAL . 96.2 t -70.66 -41.06 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.466 0.65 . . . . 0.0 110.523 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.0 p -71.22 -36.61 71.93 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.079 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 57.2 mt -66.3 -44.07 91.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.562 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.466 HG12 ' O ' ' B' ' 27' ' ' VAL . 0.3 OUTLIER -63.47 -36.67 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 C-N-CA 120.496 -0.481 . . . . 0.0 109.895 -179.003 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -69.98 -47.19 63.23 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.644 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -69.53 -34.67 74.57 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.042 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.553 ' NH2' ' O ' ' A' ' 112' ' ' LEU . 49.9 ttm-85 -60.9 -52.16 66.21 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.498 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 22.66 48.41 0.01 OUTLIER 'General case' 0 C--N 1.349 0.553 0 O-C-N 124.13 0.894 . . . . 0.0 111.255 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' B' ' 33' ' ' ARG . 70.8 ttt-85 -55.15 -8.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.145 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' B' ' 34' ' ' ALA . 10.4 ptp85 -111.22 8.34 21.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.823 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.503 ' HE1' ' HB1' ' A' ' 15' ' ' ALA . 2.4 m-85 47.36 78.69 0.07 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.256 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -59.95 -32.91 71.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.398 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' MET . . . . . 0.427 ' O ' ' N ' ' B' ' 43' ' ' LEU . 6.5 tpt -68.12 -60.63 2.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.25 0.548 . . . . 0.0 110.702 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.41 -42.57 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.353 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 46.8 t -58.59 -44.02 89.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.337 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.524 ' O ' ' C ' ' B' ' 43' ' ' LEU . 25.2 t-20 -90.06 -6.38 55.57 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 118.784 -0.627 . . . . 0.0 111.211 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 117.588 -1.196 . . . . 0.0 111.353 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 m . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.579 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 43.2 mp0 -55.77 -27.27 50.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.279 -179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 7' ' ' GLU . 46.8 mp0 -49.44 -61.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.989 0.423 . . . . 0.0 110.376 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -49.15 -45.77 44.25 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.789 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.53 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.3 mp -64.64 -41.22 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.213 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 6' ' ' GLU . 23.4 t -58.91 -49.51 82.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.949 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.58 -52.26 65.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.277 0.561 . . . . 0.0 110.144 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -62.48 -43.63 98.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.921 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -60.56 -36.01 77.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.387 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -60.45 -51.08 71.01 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.874 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.05 78.2 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.272 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.26 -49.3 76.5 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.168 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.09 -36.96 57.6 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.63 -49.55 76.12 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.535 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.551 ' CD1' HD12 ' A' ' 32' ' ' LEU . 3.4 m-85 -60.28 -38.06 82.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.263 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 53.1 t0 -96.35 76.53 2.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -61.32 -38.28 86.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.165 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 23' ' ' GLY . 21.4 p-10 -86.15 32.0 0.63 Allowed 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.82 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.512 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 13.76 60.13 0.01 OUTLIER Glycine 0 C--N 1.351 1.393 0 O-C-N 124.179 0.924 . . . . 0.0 111.555 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 50.9 p-10 -88.49 -26.41 22.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 110.369 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.516 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.65 14.03 15.14 Favored Glycine 0 N--CA 1.467 0.721 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.5 p -166.32 170.25 13.29 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.44 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -113.92 115.94 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -83.94 -177.91 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.15 0.5 . . . . 0.0 110.972 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -81.49 -47.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.562 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.94 -42.71 97.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 42.0 mt-10 -61.62 -47.13 86.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.473 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.551 HD12 ' CD1' ' A' ' 19' ' ' PHE . 6.0 tp -59.89 -37.62 79.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.107 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.91 79.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.653 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.2 m -60.44 -46.23 90.79 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.237 0.542 . . . . 0.0 110.529 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.71 -45.44 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.363 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' ASP . 78.7 mt -57.09 -42.43 79.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.686 -0.406 . . . . 0.0 109.932 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -66.83 -23.41 66.04 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.188 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.4 p -74.13 -39.3 63.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.065 0.46 . . . . 0.0 110.859 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 1.6 pp -95.03 14.73 20.88 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.875 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 13.2 t0 87.7 165.36 0.07 Allowed 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 123.878 0.736 . . . . 0.0 109.319 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 27.4 tt0 86.03 133.61 0.04 OUTLIER 'General case' 0 C--O 1.225 -0.192 0 O-C-N 123.84 0.712 . . . . 0.0 109.982 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -132.2 74.51 76.16 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -76.46 149.04 30.47 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.467 HG23 ' H ' ' A' ' 47' ' ' GLU . 9.6 t -58.44 142.97 47.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.158 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 6.0 pm0 -58.84 -26.7 64.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.43 -42.93 74.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.561 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.467 ' H ' HG23 ' A' ' 44' ' ' THR . 95.8 mt-10 -69.82 -28.7 65.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.545 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt -74.94 -50.29 17.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.027 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -64.33 -37.3 87.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.258 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -65.0 -45.63 84.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.405 ' O ' HG12 ' A' ' 55' ' ' VAL . 41.9 ttm -57.84 -48.8 78.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.954 0.407 . . . . 0.0 110.283 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.54 -42.63 90.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 t -64.57 -43.57 93.46 Favored 'General case' 0 C--N 1.316 -0.871 0 O-C-N 124.016 0.823 . . . . 0.0 111.074 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -58.5 -41.68 85.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.291 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.6 p -109.16 44.72 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.068 0.461 . . . . 0.0 110.72 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -101.13 107.86 19.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.771 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.408 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . . . -86.07 -14.75 43.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.76 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 60' ' ' ASN . 2.9 m-20 -121.43 14.37 11.14 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.53 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.54 26.79 0.01 OUTLIER Glycine 0 C--N 1.343 0.931 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' A' ' 58' ' ' ASP . 19.5 p-10 -82.23 -33.2 29.39 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.795 -178.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.52 9.97 24.26 Favored Glycine 0 N--CA 1.466 0.674 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.524 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 7.1 p -138.53 156.17 47.75 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.915 0.388 . . . . 0.0 110.39 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.7 mt -95.02 123.86 47.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.279 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -86.64 159.92 19.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.916 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -45.82 -51.62 12.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 110.497 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -60.11 -37.3 79.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.881 0.372 . . . . 0.0 110.152 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.408 ' OE2' ' HB3' ' A' ' 57' ' ' ALA . 98.0 mt-10 -71.5 -49.58 39.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.799 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -56.78 -44.45 81.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.145 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 69' ' ' LEU . 5.6 tt -61.28 -50.85 71.37 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.552 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.4 m -62.38 -43.54 98.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.06 0.457 . . . . 0.0 110.825 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.8 tt -55.21 -52.82 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 -178.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -37.52 81.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.925 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.08 -28.16 37.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.572 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -71.84 -53.0 14.65 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.998 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 76' ' ' VAL . 1.7 tttp -43.85 -82.29 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.6 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.505 ' C ' ' O ' ' A' ' 75' ' ' LYS . 21.7 t -4.89 119.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 O-C-N 124.846 1.341 . . . . 0.0 111.201 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.481 ' HB3' ' H ' ' A' ' 78' ' ' ASP . 3.3 mmtm 171.8 -117.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.507 0.504 . . . . 0.0 109.654 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 80' ' ' ASP . 64.5 t0 -173.48 -92.17 0.01 OUTLIER 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 3.1 p 63.74 -57.5 0.2 Allowed 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.256 0.348 . . . . 0.0 110.997 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 78' ' ' ASP . 94.5 m-20 -90.0 108.72 19.89 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.31 0.576 . . . . 0.0 110.664 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.07 -55.61 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.224 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 80.2 mm-40 -55.19 -22.86 19.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -77.12 -60.44 2.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -66.94 -35.11 79.24 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.684 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.565 HD21 HG22 ' A' ' 142' ' ' VAL . 12.2 tp -65.89 -40.64 91.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.082 0.468 . . . . 0.0 110.968 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 69.0 mmtt -82.6 -47.34 12.21 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.052 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -57.8 -42.41 84.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.091 0.472 . . . . 0.0 109.814 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.75 -55.02 38.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.707 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -62.64 -27.91 69.54 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.411 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.11 -41.7 94.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.8 t -76.31 -44.86 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.013 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.4 -48.87 79.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.141 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 96' ' ' GLN . 39.2 t0 -85.5 60.49 6.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.732 -0.387 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -41.33 -56.96 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.444 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.475 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -66.96 -6.56 17.26 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.802 -179.301 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 93' ' ' ASP . 29.9 mm100 43.96 48.62 7.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.685 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -87.78 -3.46 58.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.357 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.97 -0.75 60.72 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 13.3 m-85 -144.19 149.06 35.82 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 120.669 0.271 . . . . 0.0 110.601 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.0 mt -95.41 111.36 25.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.69 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.7 m -84.53 147.96 26.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.74 45.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.369 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.3 t -58.61 -41.67 86.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.387 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.475 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 51.4 mt-10 -65.05 -51.65 60.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.422 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.7 tp -66.78 -27.16 67.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.379 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.522 ' NH2' ' OD1' ' A' ' 118' ' ' ASP . 72.9 ttt180 -80.44 -42.17 23.14 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -57.86 -50.0 74.77 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.922 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 109' ' ' MET . 47.2 t -62.67 -63.06 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.716 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' VAL . 5.4 tpt -32.85 -72.85 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.038 0.447 . . . . 0.0 111.38 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.615 HG23 ' N ' ' A' ' 111' ' ' ASN . 19.6 tt -52.42 -45.6 45.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.921 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.615 ' N ' HG23 ' A' ' 110' ' ' ILE . 14.0 t-20 -50.33 -8.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.719 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' A' ' 110' ' ' ILE . 70.2 mt -105.65 -157.46 0.61 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.208 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -97.64 52.42 1.32 Allowed Glycine 0 CA--C 1.52 0.37 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.401 ' OE1' ' CE ' ' A' ' 109' ' ' MET . 39.5 tt0 -159.08 111.5 2.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.471 ' C ' HD22 ' A' ' 116' ' ' LEU . 64.1 mttp -106.69 109.46 21.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.847 0.356 . . . . 0.0 111.356 -179.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.491 HD12 ' CB ' ' A' ' 120' ' ' GLU . 4.1 mm? -115.08 140.85 48.72 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.649 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.446 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 68.6 p -63.06 170.82 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.029 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.522 ' OD1' ' NH2' ' A' ' 106' ' ' ARG . 99.1 m-20 -67.68 -23.74 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.3 mp0 -70.47 -45.08 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.755 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.52 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 6.9 mp0 -70.2 -43.77 70.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.433 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.39 -46.9 95.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.194 0.521 . . . . 0.0 110.144 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -65.53 -31.12 72.01 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.096 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -61.82 -55.18 32.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.429 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.608 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 11.6 ttp -56.1 -43.43 78.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.342 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.9 mm -58.32 -38.27 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.129 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -81.5 -27.37 34.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.987 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -85.47 -65.93 0.96 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.931 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.417 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -46.52 -37.3 7.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.527 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.486 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 51.1 t0 -76.44 122.11 24.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.005 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 130' ' ' LEU . 3.8 mm? -66.2 -48.52 70.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.665 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 11.9 p-10 -97.59 -2.35 41.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.486 ' O ' ' OD2' ' A' ' 129' ' ' ASP . . . 61.81 -117.39 11.38 Favored Glycine 0 C--O 1.223 -0.54 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 2.5 m-20 80.78 -19.16 0.45 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.785 0.326 . . . . 0.0 110.437 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.53 7.57 53.71 Favored Glycine 0 N--CA 1.464 0.533 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.48 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 13.2 mt-30 -147.83 149.21 31.89 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.999 0.428 . . . . 0.0 110.43 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.9 t -116.85 126.07 74.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.15 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.929 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.555 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 17.0 t-20 -87.49 154.63 20.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.656 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.43 ' CZ ' HG21 ' A' ' 142' ' ' VAL . 53.2 t80 -47.08 -43.77 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.258 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -59.99 -49.38 77.9 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.442 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.454 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 92.4 mt-10 -61.72 -39.68 92.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.942 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -61.37 -48.4 81.42 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.565 HG22 HD21 ' A' ' 85' ' ' LEU . 38.2 t -58.96 -46.89 91.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.081 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -61.08 -32.07 71.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.0 tpt -71.24 -35.03 71.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 110.929 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.0 mmm -75.42 -24.36 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.149 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.6 mtp . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 121.071 0.462 . . . . 0.0 110.789 179.675 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.463 ' NH1' ' NH2' ' B' ' 24' ' ' ARG . 47.2 ptt85 -60.67 -39.14 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.478 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.24 -38.56 90.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.345 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -59.8 -44.57 93.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.099 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.608 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 3.4 m95 -59.96 -50.07 75.2 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.226 0.536 . . . . 0.0 110.019 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.463 ' NH2' ' NH1' ' B' ' 20' ' ' ARG . 87.9 mtm180 -65.8 -36.28 83.06 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.929 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 60.9 m -60.45 -45.09 94.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.145 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.455 ' O ' HG23 ' B' ' 30' ' ' VAL . 85.9 p -59.31 -44.84 92.51 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.088 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 97.4 t -68.43 -42.33 83.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.086 0.469 . . . . 0.0 110.327 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 37.9 t -62.53 -42.64 99.66 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.824 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.81 -41.76 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 26' ' ' SER . 53.6 t -59.26 -42.19 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.475 ' HD3' ' H ' ' A' ' 77' ' ' LYS . 18.8 ttmt -59.24 -43.46 92.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.517 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -65.23 -41.17 94.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.331 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.598 ' O ' ' N ' ' B' ' 35' ' ' ARG . 58.2 ttp180 -68.14 -46.42 70.86 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.526 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 55.79 -73.91 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 123.394 0.434 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.598 ' N ' ' O ' ' B' ' 33' ' ' ARG . 64.9 ttt180 69.39 -37.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.567 0.542 . . . . 0.0 110.222 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.526 ' H ' ' C ' ' B' ' 34' ' ' ALA . 71.1 ttt180 -92.99 -10.64 35.58 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.163 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.516 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.5 m-85 70.44 64.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.146 0.498 . . . . 0.0 110.155 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.479 ' HB3' ' HZ1' ' A' ' 75' ' ' LYS . 76.4 mtp85 -51.38 -41.72 60.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.025 0.44 . . . . 0.0 110.351 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' MET . . . . . 0.497 ' C ' ' SD ' ' B' ' 39' ' ' MET . 0.4 OUTLIER -63.77 -65.04 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 -179.327 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.425 HD13 HD11 ' A' ' 32' ' ' LEU . 96.0 mt -63.03 -43.27 98.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.717 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 96.2 p -54.91 -42.41 72.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.18 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -65.23 -40.98 94.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.401 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.412 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 C--O 1.224 -0.255 0 CA-C-O 120.713 0.292 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.415 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 38.9 mp0 -58.22 -22.11 50.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.509 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -56.6 -58.48 7.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.231 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.48 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 7.5 pt20 -47.15 -41.8 18.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.48 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 4.8 mm -66.07 -42.56 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.229 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.8 t -59.02 -48.25 87.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.978 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -57.9 -53.73 54.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.123 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -60.38 -42.89 96.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.194 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -64.99 -37.13 86.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.652 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -58.54 -51.45 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.191 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.34 89.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.293 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -60.13 -49.79 76.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.39 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.92 -32.44 75.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.607 ' O ' HD23 ' A' ' 18' ' ' LEU . 4.0 tt -64.64 -51.93 60.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.536 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CE2' ' CD1' ' B' ' 37' ' ' PHE . 0.9 OUTLIER -52.02 -25.91 9.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 -179.36 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 35.2 t0 -109.71 89.91 3.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.418 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.421 ' NZ ' HG22 ' A' ' 35' ' ' VAL . 44.4 mttp -63.39 -29.24 70.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.13 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.585 ' O ' ' C ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -97.91 31.98 2.51 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 -179.617 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.585 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.46 66.56 0.01 OUTLIER Glycine 0 N--CA 1.469 0.835 0 O-C-N 123.584 0.553 . . . . 0.0 111.778 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 22' ' ' ASP . 74.6 m-20 -88.61 -24.52 22.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.73 9.03 23.67 Favored Glycine 0 N--CA 1.465 0.616 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 23.4 p -169.58 124.8 0.83 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.789 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.8 mt -76.25 131.29 35.16 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 29' ' ' VAL . 57.5 m -106.48 156.74 18.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.611 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.444 ' N ' HG22 ' A' ' 28' ' ' THR . 74.2 t -51.35 -43.56 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.217 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.46 -59.52 5.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.423 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 82.0 mt-10 -55.38 -42.05 73.48 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.0 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.575 HD12 ' CD1' ' A' ' 19' ' ' PHE . 7.3 tp -62.97 -36.48 83.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.237 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.64 87.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.9 m -58.59 -47.28 84.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.521 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.421 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 80.6 t -62.44 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.723 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.8 mt -61.54 -44.43 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.738 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -63.68 -32.6 74.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.085 0.469 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 p -54.43 -17.67 3.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.496 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.458 ' C ' ' H ' ' A' ' 41' ' ' GLN . 5.8 mp -89.32 24.05 2.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.545 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 73.25 -16.4 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.514 0.509 . . . . 0.0 110.743 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' H ' ' C ' ' A' ' 39' ' ' LEU . 99.2 mm-40 -72.07 162.32 29.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.551 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -149.14 67.02 8.91 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.602 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -79.07 165.16 24.24 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.846 2.364 . . . . 0.0 111.932 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 47' ' ' GLU . 5.1 t -87.09 149.14 24.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.474 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.25 -20.7 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.747 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -62.86 -44.36 96.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.442 ' H ' HG23 ' A' ' 44' ' ' THR . 96.0 mt-10 -71.07 -26.58 63.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.704 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.5 mt -80.56 -44.77 18.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.086 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.74 -29.15 65.31 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.869 0.366 . . . . 0.0 110.142 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.86 -56.76 6.21 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 52' ' ' ILE . 0.5 OUTLIER -63.16 -33.77 76.18 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.884 0.373 . . . . 0.0 110.857 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.416 ' N ' ' HG3' ' A' ' 51' ' ' MET . 84.0 mt -74.76 -25.04 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.327 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 55' ' ' VAL . 46.0 t -89.06 -30.31 18.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.54 -0.89 0.19 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.483 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 57' ' ' ALA . 2.0 t -139.8 -52.01 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 66.7 t0 -48.89 87.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.57 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -42.49 -73.63 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.82 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.488 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.8 p30 -60.05 4.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 27.65 64.32 0.09 OUTLIER Glycine 0 C--N 1.341 0.828 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' OD1' ' O ' ' A' ' 62' ' ' THR . 48.0 p30 -102.16 27.78 6.38 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.758 0.314 . . . . 0.0 110.366 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 45.79 16.54 0.13 Allowed Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.475 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 52.8 p -137.75 134.11 34.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.771 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.5 mt -104.31 129.31 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.346 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -93.41 158.74 15.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.566 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -44.52 -49.45 10.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.444 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.9 -37.16 81.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.263 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.547 ' O ' HD13 ' A' ' 71' ' ' LEU . 95.4 mt-10 -73.54 -44.96 56.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.593 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -58.77 -43.71 90.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.231 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.7 tt -61.84 -45.57 93.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.017 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 p -67.72 -42.41 81.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.787 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 67' ' ' GLU . 7.2 mp -64.08 -43.2 96.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.0 tpt -63.79 -48.85 75.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.546 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -65.47 -42.27 92.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.563 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -65.73 12.39 0.06 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.546 ' H ' ' C ' ' A' ' 73' ' ' ALA . 2.9 ttmp? -159.03 48.35 0.33 Allowed 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 119.302 -0.38 . . . . 0.0 110.263 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 77' ' ' LYS . 1.0 OUTLIER 164.74 145.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.049 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 152.63 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.343 0.308 0 O-C-N 124.459 1.1 . . . . 0.0 109.373 178.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.495 ' O ' ' OG1' ' A' ' 79' ' ' THR . 72.6 m-20 -152.67 -70.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.816 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 78' ' ' ASP . 7.4 p 62.61 -139.74 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.437 0.461 . . . . 0.0 111.424 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.66 155.81 35.4 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.818 0.818 . . . . 0.0 110.984 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.78 -52.26 9.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.808 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.92 -21.82 63.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.712 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -77.09 -52.67 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -73.69 -34.07 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.639 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.3 -32.61 70.45 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.616 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -84.42 -45.24 12.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.594 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.446 ' OE1' ' NH2' ' B' ' 38' ' ' ARG . 73.1 mm-40 -60.32 -42.01 94.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.181 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.95 -54.65 38.8 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.55 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 56.1 t80 -58.2 -33.2 69.03 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.168 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -63.09 -37.98 89.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.48 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -75.34 -54.45 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 0.0 110.694 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -51.59 -45.86 63.32 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.703 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.55 ' OD2' ' CZ ' ' A' ' 89' ' ' PHE . 12.3 m-20 -84.24 60.66 6.08 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -40.95 -58.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.392 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 9.5 p30 -69.0 -3.73 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.144 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 93' ' ' ASP . 30.3 mm100 46.07 48.97 12.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.71 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.51 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 30.6 p30 -86.3 -4.37 59.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.496 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 99' ' ' TYR . . . 94.71 -3.05 67.6 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 4.8 m-85 -141.66 147.49 37.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.558 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 mt -93.27 113.88 28.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.272 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -92.35 153.03 19.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.403 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.35 -43.12 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.397 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.8 t -59.54 -42.42 92.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.285 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 65.9 mt-10 -66.22 -54.14 28.69 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.119 0.485 . . . . 0.0 110.583 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.538 HD21 ' CE ' ' A' ' 124' ' ' MET . 46.6 tp -61.67 -25.34 67.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.428 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.425 ' O ' HG22 ' A' ' 110' ' ' ILE . 80.0 ttt180 -78.95 -47.92 15.48 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.37 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -51.62 -53.74 35.28 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.689 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 109' ' ' MET . 38.7 t -60.51 -66.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.379 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.491 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.4 tpt -29.77 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.863 0.363 . . . . 0.0 111.251 -178.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.609 HG23 ' N ' ' A' ' 111' ' ' ASN . 9.5 tp -49.26 -45.96 18.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.015 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.609 ' N ' HG23 ' A' ' 110' ' ' ILE . 64.3 t30 -50.5 -8.47 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.617 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.525 ' H ' ' C ' ' A' ' 110' ' ' ILE . 72.9 mt -93.52 -112.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.622 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -155.05 48.89 0.49 Allowed Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -135.8 126.17 26.65 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.798 0.333 . . . . 0.0 110.531 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -89.6 98.74 11.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.367 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 55.9 mt -126.07 137.22 53.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.726 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.8 p -81.51 171.91 14.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.473 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 42.2 p-10 -62.65 -25.69 68.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.416 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.5 mt-10 -69.69 -42.41 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.078 0.465 . . . . 0.0 110.665 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.99 -42.48 66.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.744 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.34 -51.73 55.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.029 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.81 -29.95 70.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.122 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -66.11 -53.81 33.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.517 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.538 ' CE ' HD21 ' A' ' 105' ' ' LEU . 1.7 tmm? -52.31 -57.66 9.08 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 120.893 0.377 . . . . 0.0 111.088 -178.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.432 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 11.2 tt -52.52 -40.35 32.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.558 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.428 ' N ' HG23 ' A' ' 125' ' ' ILE . 90.8 mttt -64.41 -39.23 93.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.646 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.86 -45.91 66.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.559 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -58.57 -36.42 73.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.271 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 43.8 m-20 -67.84 105.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.03 0.443 . . . . 0.0 110.19 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.2 mt -76.97 -39.87 48.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.188 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.433 ' OD1' ' OD2' ' A' ' 133' ' ' ASP . 16.1 p30 -93.47 -1.57 55.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.052 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.422 ' O ' ' OD1' ' A' ' 133' ' ' ASP . . . 56.04 104.73 0.01 OUTLIER Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.433 ' OD2' ' OD1' ' A' ' 131' ' ' ASP . 31.6 m-20 -148.4 12.4 0.92 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.756 0.313 . . . . 0.0 110.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.02 -5.32 13.7 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -153.39 132.99 12.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.137 0.494 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.9 t -80.07 126.91 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.521 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -90.58 159.69 16.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.6 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -51.14 -40.24 58.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.379 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -62.78 -50.64 70.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.892 0.377 . . . . 0.0 110.549 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.55 -37.73 87.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.171 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.542 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 64.4 t80 -60.57 -46.72 89.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.288 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.86 -45.63 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.162 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -63.57 -34.98 79.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.938 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -66.53 -30.35 70.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.542 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 23.5 mtp -90.66 -18.86 24.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.474 -178.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 39.3 mtt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.837 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.624 ' HE ' ' NH2' ' B' ' 24' ' ' ARG . 41.8 ttp-105 -60.76 -47.09 87.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -71.32 -37.37 71.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -45.61 92.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.654 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.559 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 2.7 m95 -65.06 -47.17 78.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.113 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.624 ' NH2' ' HE ' ' B' ' 20' ' ' ARG . 88.6 mtm180 -65.66 -34.84 79.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.92 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 40.9 t -60.74 -46.82 88.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.509 ' O ' HG23 ' B' ' 30' ' ' VAL . 39.2 t -61.58 -41.25 97.15 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.345 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t -66.19 -46.0 88.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.757 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.0 m -69.39 -43.12 74.15 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.007 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.59 -42.4 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 26' ' ' SER . 38.9 t -64.0 -43.16 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.185 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -62.96 -45.39 92.67 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.567 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -65.94 -36.83 84.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.217 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' B' ' 34' ' ' ALA . 59.0 ttm-85 -60.96 -54.88 39.55 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.009 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.518 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 25.72 50.34 0.02 OUTLIER 'General case' 0 C--N 1.343 0.291 0 O-C-N 123.628 0.58 . . . . 0.0 111.146 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -58.56 -2.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.039 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.518 ' H ' ' C ' ' B' ' 34' ' ' ALA . 33.6 mmt180 -111.21 0.87 16.92 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.6 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER 54.01 58.06 5.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.364 179.176 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.446 ' NH2' ' OE1' ' A' ' 87' ' ' GLU . 53.9 mtp85 -55.47 -31.02 61.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.421 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 33.0 mmm -69.69 -63.14 1.13 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.988 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.33 -42.94 97.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.245 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 16.9 t -57.16 -46.07 83.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.113 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -67.61 -39.86 84.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.504 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 tp . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.48 -179.606 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 t . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.417 0.151 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.2 mt-10 -46.97 -35.24 6.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.14 -44.53 83.9 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -56.03 -53.8 52.58 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.409 ' HA ' HD13 ' A' ' 9' ' ' ILE . 47.5 mm -58.69 -44.54 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 6' ' ' GLU . 14.0 t -54.84 -48.29 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.742 -0.383 . . . . 0.0 109.99 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -53.51 -50.62 65.02 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -64.66 -42.77 95.17 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.384 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -55.12 -38.49 68.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.794 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -65.43 -48.17 73.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.013 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.81 74.3 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.092 0.473 . . . . 0.0 110.213 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -58.22 -47.88 82.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.313 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.21 -39.95 51.51 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mt -63.93 -41.2 97.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.861 0.363 . . . . 0.0 110.679 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.502 ' CZ ' ' CD1' ' B' ' 37' ' ' PHE . 16.7 m-85 -63.97 -42.59 97.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.209 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 24' ' ' ASP . 46.4 t0 -100.66 76.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.768 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -52.87 -28.38 22.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.052 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.603 ' O ' ' C ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -97.67 38.17 1.31 Allowed 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.593 -179.66 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.603 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.74 67.98 0.01 OUTLIER Glycine 0 CA--C 1.525 0.677 0 O-C-N 123.399 0.437 . . . . 0.0 112.198 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -95.21 -25.94 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.414 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 104.67 13.64 25.4 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.561 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 18.7 m -161.72 165.0 28.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 110.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -116.06 118.02 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.833 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.604 ' HA ' HG22 ' A' ' 62' ' ' THR . 8.6 m -97.42 151.96 19.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.5 t -49.99 -45.83 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.256 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -61.0 -54.73 41.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.01 -43.8 78.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.619 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.88 -37.05 80.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.421 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.5 91.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.198 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.3 m -58.54 -45.99 87.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.962 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.45 -44.53 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.349 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.486 ' CD1' HD11 ' A' ' 48' ' ' LEU . 92.4 mt -62.02 -42.47 95.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.198 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -59.89 -34.16 72.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.232 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -57.77 -27.25 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.817 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 mp -78.6 11.49 2.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 69.83 40.96 1.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.786 0.679 . . . . 0.0 110.789 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -165.01 128.63 2.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -126.7 84.07 63.67 Favored Pre-proline 0 C--N 1.333 -0.152 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.737 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -56.6 168.14 2.42 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.905 2.403 . . . . 0.0 111.87 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.458 HG23 ' H ' ' A' ' 47' ' ' GLU . 5.1 t -66.0 141.95 58.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.69 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.62 -39.27 61.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.351 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.496 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 2.2 tm-20 -48.69 -43.87 37.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.445 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.503 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.3 tm-20 -62.19 -33.28 74.24 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.206 0.527 . . . . 0.0 110.487 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 36' ' ' ILE . 4.1 mm? -78.84 -35.07 44.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.083 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -62.1 -48.19 81.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.86 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 54' ' ' GLU . 13.8 p-10 -67.05 -45.87 76.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.436 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.4 ttm -46.85 -54.75 9.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.709 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.53 -41.12 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.271 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.1 t -72.09 -18.91 61.88 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.715 0.634 . . . . 0.0 110.7 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 50' ' ' ASP . 82.2 tt0 -78.72 -8.35 58.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.127 0.489 . . . . 0.0 110.429 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 t -146.45 40.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 14.1 t0 -105.81 103.3 12.77 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.42 -8.2 53.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.258 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 48.7 p30 -127.2 10.27 6.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.737 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 42.43 47.99 5.73 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' C ' ' N ' ' A' ' 62' ' ' THR . 52.5 p-10 -106.53 15.41 25.9 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.652 0.263 . . . . 0.0 110.582 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 47.15 15.78 0.22 Allowed Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.604 HG22 ' HA ' ' A' ' 28' ' ' THR . 77.2 p -139.02 145.65 39.89 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.964 0.412 . . . . 0.0 110.864 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.2 mt -96.94 125.47 49.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 120.957 0.408 . . . . 0.0 110.278 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -82.78 162.73 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -51.27 -48.09 62.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.389 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.07 -38.4 86.08 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.167 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -70.6 -52.56 20.66 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -53.85 -42.92 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 69' ' ' LEU . 2.8 tt -57.56 -58.63 7.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.371 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.4 t -64.92 -43.65 92.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.676 HD23 ' C ' ' A' ' 71' ' ' LEU . 6.6 tt -52.52 -58.83 5.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.5 tpt -67.72 -45.04 76.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.809 0.338 . . . . 0.0 111.319 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.63 -25.8 63.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.882 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' VAL . 25.5 mmtp -94.53 -59.73 1.87 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.749 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -55.21 77.88 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.829 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.578 HG12 ' N ' ' A' ' 77' ' ' LYS . 59.3 t -134.22 162.45 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.578 ' N ' HG12 ' A' ' 76' ' ' VAL . 28.5 ttpt 158.62 -62.75 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.16 0 O-C-N 123.466 0.479 . . . . 0.0 110.52 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 71.78 -59.36 0.55 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.672 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 79' ' ' THR . 95.9 m 57.18 51.82 9.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.928 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -161.45 120.89 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.84 -52.34 9.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.043 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -58.7 -25.25 62.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.611 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -79.46 -53.04 7.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.308 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.52 -35.98 75.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.006 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 98.1 mt -73.66 -29.24 62.2 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.361 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -84.68 -50.99 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.361 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.8 pp20? -59.01 -40.69 85.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.912 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.45 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -62.14 -55.31 30.06 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -58.7 -37.07 75.3 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.05 0.453 . . . . 0.0 110.144 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -58.14 -37.99 75.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.6 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 87' ' ' GLU . 70.2 t -73.58 -49.68 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.234 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.509 ' N ' ' CD1' ' A' ' 92' ' ' PHE . 3.0 m-30 -58.04 -47.15 83.97 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.909 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 96' ' ' GLN . 39.0 t0 -88.79 59.47 5.09 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -39.3 -59.72 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.061 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 53.8 p30 -64.06 -7.71 9.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.234 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 93' ' ' ASP . 34.9 mt-30 45.97 58.9 4.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.336 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.426 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 26.8 p-10 -100.16 -5.7 27.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.369 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.485 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.88 0.81 48.85 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 24.4 m-85 -145.34 149.87 35.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.878 0.37 . . . . 0.0 110.631 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 mt -95.79 115.25 34.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.04 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.6 t -81.86 145.68 30.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.448 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.35 -44.24 65.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.546 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.7 m -59.32 -46.4 88.7 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.95 -46.12 90.43 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.073 0.464 . . . . 0.0 110.304 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.507 HD23 HD11 ' A' ' 125' ' ' ILE . 54.3 tp -70.75 -23.98 62.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.315 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -63.57 -45.48 90.27 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.272 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.918 ' CG ' HD22 ' A' ' 111' ' ' ASN . 0.5 OUTLIER -69.66 -58.11 4.33 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.825 179.328 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 108' ' ' VAL . 40.8 t -46.19 -16.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.317 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.47 ' N ' ' C ' ' A' ' 107' ' ' HIS . 6.9 tpt -91.45 -76.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.534 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.4 tt -51.26 -32.16 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.271 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.918 HD22 ' CG ' ' A' ' 107' ' ' HIS . 95.8 m-20 -52.88 -14.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.668 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.457 HD22 ' CG2' ' B' ' 29' ' ' ILE . 69.9 mt -96.21 8.2 44.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.621 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.61 36.5 26.01 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -121.63 128.44 51.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.287 0.565 . . . . 0.0 110.62 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.542 ' C ' HD22 ' A' ' 116' ' ' LEU . 98.4 mttt -102.62 92.34 4.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.038 0.446 . . . . 0.0 110.254 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.542 HD22 ' C ' ' A' ' 115' ' ' LYS . 4.4 mm? -108.17 128.36 54.64 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.9 p -53.47 151.21 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.304 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 42.3 p-10 -59.12 -30.19 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.443 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.462 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.2 mt-10 -64.92 -47.74 76.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.456 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HG2' HD12 ' A' ' 116' ' ' LEU . 40.5 tp10 -62.08 -46.98 86.69 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.239 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.6 t -63.43 -45.43 97.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.082 0.468 . . . . 0.0 110.319 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -59.69 -36.68 76.97 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.395 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -61.94 -53.18 59.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.331 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.7 ttp -50.4 -40.22 49.29 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.545 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.507 HD11 HD23 ' A' ' 105' ' ' LEU . 30.8 mm -64.08 -45.85 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -76.74 -24.98 53.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -82.71 -57.36 3.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.774 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.441 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -46.35 -44.25 16.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.299 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 20.6 t0 -88.91 120.02 29.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.254 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 130' ' ' LEU . 10.5 mp -57.96 -43.68 86.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.435 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 1.1 p-10 -80.65 -14.67 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.718 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.563 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 65.37 -101.99 0.62 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 0.0 OUTLIER 69.78 -23.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.776 0.322 . . . . 0.0 110.612 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 104.93 11.74 29.44 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -147.65 153.11 38.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.889 0.376 . . . . 0.0 110.545 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.5 t -113.88 121.04 65.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.103 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.805 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -84.84 155.82 21.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -50.73 -44.58 58.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.135 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.73 -39.42 94.26 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.238 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.431 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 94.8 mt-10 -67.08 -37.28 83.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.121 0.486 . . . . 0.0 110.489 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.591 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 53.2 t80 -70.21 -47.63 60.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.4 t -55.66 -56.04 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.034 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 144' ' ' MET . 36.7 pttt -60.8 -37.58 82.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.069 0.461 . . . . 0.0 110.545 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' A' ' 144' ' ' MET . 1.8 tmt? -71.18 -35.07 71.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.289 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.591 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 4.7 tpt -67.98 -27.4 66.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.896 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.446 ' O ' ' O ' ' A' ' 145' ' ' MET . 17.6 mmt . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.643 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -60.4 -43.59 96.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -67.49 -38.5 84.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.346 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -61.04 -44.98 96.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.441 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 2.0 m95 -62.73 -47.64 82.69 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -65.94 -35.17 79.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.951 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 38.3 t -60.97 -44.41 97.38 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.033 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.657 ' O ' HG23 ' B' ' 30' ' ' VAL . 89.6 p -61.97 -43.68 98.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.324 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.1 t -68.41 -43.66 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.618 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.0 t -66.96 -46.5 74.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.756 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.457 ' CG2' HD22 ' A' ' 112' ' ' LEU . 78.3 mt -61.98 -41.65 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.159 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 26' ' ' SER . 25.5 t -58.76 -40.88 80.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.716 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -60.69 -46.13 91.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.909 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.34 -38.57 78.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.332 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' B' ' 34' ' ' ALA . 72.0 ttt180 -70.38 -46.85 63.23 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 33.37 81.29 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -67.35 -16.07 64.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.908 0.385 . . . . 0.0 110.304 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.453 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 80.0 mtt85 -112.06 -0.47 15.65 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.639 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.502 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 1.3 m-85 64.88 45.6 3.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.742 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' B' ' 37' ' ' PHE . 17.9 ptm180 -37.24 -34.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.879 0.371 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -69.11 -72.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.018 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.65 -29.63 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.264 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -61.72 -45.75 92.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.092 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -65.52 -41.05 93.56 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.43 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.422 -179.604 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.846 0.355 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -65.6 -22.13 66.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.425 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -53.17 -30.91 39.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.288 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -75.49 -48.74 21.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.041 0.448 . . . . 0.0 110.068 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.7 mm -63.67 -38.55 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.153 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.1 t -61.89 -48.87 86.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.397 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -53.6 -49.58 67.49 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.05 0.453 . . . . 0.0 110.038 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -64.23 -36.97 85.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.044 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -60.98 -38.26 85.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.248 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -63.98 -48.83 74.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.126 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.53 85.34 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.621 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.53 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 61.5 t80 -52.39 -48.54 65.58 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.05 -31.5 61.71 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -50.27 74.23 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.394 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.23 -33.35 73.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.29 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.53 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 37.2 m-20 -93.0 83.54 4.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -58.18 -43.07 87.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.129 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.561 ' O ' ' C ' ' A' ' 23' ' ' GLY . 51.7 p-10 -92.27 36.08 1.0 Allowed 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.27 63.73 0.01 OUTLIER Glycine 0 N--CA 1.473 1.134 0 O-C-N 124.152 0.908 . . . . 0.0 111.461 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 16.1 p-10 -86.75 -26.52 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.503 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.55 10.46 23.35 Favored Glycine 0 N--CA 1.466 0.655 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.48 ' SG ' ' OD2' ' A' ' 24' ' ' ASP . 20.8 p -167.99 126.67 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.76 0.314 . . . . 0.0 111.01 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 84.5 mt -76.2 130.17 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.01 -170.8 2.04 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 t -81.85 -44.86 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.512 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.68 -44.76 96.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.54 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -62.44 -45.56 92.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.429 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.0 tp -59.6 -40.51 87.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.105 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.29 -39.95 78.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 m -60.82 -48.7 80.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.51 -46.93 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.518 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.93 -43.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -59.13 -34.52 72.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.468 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.5 p -93.59 11.55 28.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.482 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -103.31 14.92 30.46 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.103 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 1.9 m-20 78.69 20.66 0.8 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.443 0.465 . . . . 0.0 110.674 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' B' ' 41' ' ' SER . 32.2 mt-30 -145.05 153.18 41.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.233 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -145.17 79.42 11.75 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.49 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -79.63 160.99 25.02 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.86 2.373 . . . . 0.0 112.231 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 m -62.66 136.39 57.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.34 -49.69 74.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.55 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.581 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 1.3 mp0 -43.5 -44.17 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 6.8 mp0 -61.63 -51.1 69.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.846 0.355 . . . . 0.0 110.063 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.3 mt -52.5 -53.54 44.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.37 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -53.41 -45.76 69.5 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.29 -40.35 95.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.482 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 27.6 ttp -63.28 -40.07 96.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.478 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.759 ' CD1' HD11 ' A' ' 63' ' ' ILE . 31.5 mm -64.6 -45.22 96.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.598 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -79.0 -12.36 60.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -59.15 -44.72 92.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.805 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.7 t -106.77 -46.02 8.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.746 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -48.52 97.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.672 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.583 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -47.0 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.705 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.536 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.1 p30 -60.35 5.54 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.583 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 17.12 59.88 0.01 OUTLIER Glycine 0 C--N 1.346 1.118 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -78.02 -10.81 59.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.648 -0.276 . . . . 0.0 110.476 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.43 3.65 53.33 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 p -140.66 148.97 41.65 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.91 0.386 . . . . 0.0 110.393 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.759 HD11 ' CD1' ' A' ' 52' ' ' ILE . 65.4 mt -101.47 122.31 53.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.51 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -83.97 161.42 20.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.203 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -52.44 -46.27 66.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.384 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.78 -38.86 83.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.171 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.12 -47.23 52.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.611 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -59.66 -45.98 90.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.258 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.25 -48.03 79.91 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.924 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -63.81 -44.97 91.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.64 -48.14 82.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.576 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.6 tpt -65.35 -42.01 93.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.2 85.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.132 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.29 -61.02 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.35 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -118.15 117.81 30.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.044 HG13 ' H ' ' A' ' 77' ' ' LYS . 2.5 p -113.42 -91.35 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.619 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 1.044 ' H ' HG13 ' A' ' 76' ' ' VAL . 65.0 pttt -52.56 179.89 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.172 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -133.63 15.8 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.638 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 75.1 78.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 0.0 110.705 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -160.98 118.65 2.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.18 0.514 . . . . 0.0 110.506 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.5 13.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.995 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -54.04 -18.87 4.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.098 0.475 . . . . 0.0 110.701 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -81.48 -57.77 3.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -68.29 -35.17 77.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.495 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 mt -69.18 -39.72 78.55 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -84.94 -45.06 12.57 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.481 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.05 -41.21 91.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.85 -54.74 37.99 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.553 ' CZ ' ' OD1' ' A' ' 93' ' ' ASP . 59.3 t80 -57.14 -33.48 67.43 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.287 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -61.7 -39.12 90.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.562 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.8 t -73.48 -43.81 54.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.689 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.502 ' CE1' HG11 ' A' ' 108' ' ' VAL . 43.3 m-85 -59.22 -46.72 87.72 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.113 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.553 ' OD1' ' CZ ' ' A' ' 89' ' ' PHE . 5.4 m-20 -93.24 58.41 2.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.034 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -41.31 -58.44 1.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.285 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.823 ' CG ' HD22 ' A' ' 97' ' ' ASN . 6.9 p30 -70.13 -2.98 14.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.103 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' ASP . 97.0 mt-30 55.9 67.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.013 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.823 HD22 ' CG ' ' A' ' 95' ' ' ASP . 6.8 m-20 -102.6 -16.68 16.0 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.654 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 98.01 -2.92 60.09 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.472 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 24.3 m-85 -141.75 146.07 35.56 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mt -91.0 113.75 27.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.284 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 t -90.38 139.36 30.74 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.08 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.469 ' CB ' ' OE2' ' A' ' 122' ' ' GLU . . . -41.61 -41.12 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.1 m -59.34 -46.18 89.32 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.753 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.31 -43.01 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.76 -27.75 64.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.131 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 102' ' ' ALA . 67.3 ttt180 -62.4 -45.84 91.3 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.57 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 109' ' ' MET . 40.1 m80 -69.39 -58.84 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.977 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.502 HG11 ' CE1' ' A' ' 92' ' ' PHE . 75.3 t -45.13 -18.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.58 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 107' ' ' HIS . 4.0 tpt -90.29 -76.95 0.41 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.201 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.5 tt -48.31 -37.06 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.741 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.477 ' N ' HG23 ' A' ' 110' ' ' ILE . 72.5 m-20 -66.54 -26.98 67.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.995 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' A' ' 113' ' ' GLY . 10.8 mp -102.92 76.71 1.5 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.049 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 22.98 55.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 123.784 0.677 . . . . 0.0 111.807 179.246 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -170.87 101.78 0.23 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.4 ' C ' HD12 ' A' ' 116' ' ' LEU . 66.0 tttm -103.63 112.48 25.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.199 0.523 . . . . 0.0 111.21 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 115' ' ' LYS . 9.8 mp -109.8 132.12 54.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.286 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.434 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 32.6 p -54.2 165.56 0.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.995 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 33.9 p-10 -59.91 -37.19 78.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.4 mt-10 -64.29 -44.29 92.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.588 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -62.92 -43.66 98.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.381 -179.736 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.92 -48.58 87.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.076 0.465 . . . . 0.0 110.435 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.469 ' OE2' ' CB ' ' A' ' 102' ' ' ALA . 80.3 mm-40 -67.69 -34.9 77.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.252 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -64.0 -52.91 57.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.609 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.0 ttp -54.53 -46.9 73.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.405 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.0 mt -62.25 -46.56 96.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.437 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -58.39 -41.57 85.13 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.54 -46.72 58.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.606 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.36 98.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.299 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.555 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 60.2 t0 -68.13 112.75 5.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.273 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 130' ' ' LEU . 9.4 mp -68.52 -37.11 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 132' ' ' GLY . 1.8 p-10 -90.59 -3.35 57.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.012 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 53.54 118.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.555 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 52.3 p30 -172.44 18.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.58 -0.365 . . . . 0.0 110.598 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.48 19.3 62.21 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -152.17 160.94 43.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.544 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.5 t -127.78 126.62 67.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.999 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -90.14 160.31 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.459 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -52.87 -39.47 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.364 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -61.73 -55.37 31.02 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.812 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.438 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 82.2 mt-10 -58.1 -38.32 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.914 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -61.24 -48.07 83.15 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.414 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 34.1 t -58.37 -49.98 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.438 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -64.81 -35.64 81.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.816 0.341 . . . . 0.0 111.296 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -66.55 -28.27 68.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.012 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.4 ttm -91.91 -19.25 22.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.5 mmm . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.943 -179.771 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -64.29 -37.29 86.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.431 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -66.91 -40.97 87.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.468 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -64.29 -39.77 94.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.201 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.44 -48.23 80.59 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -65.61 -35.98 82.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.779 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.1 t -59.9 -44.67 94.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.148 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.777 ' O ' HG23 ' B' ' 30' ' ' VAL . 20.1 m -60.6 -44.51 96.17 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.228 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.34 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.156 0.503 . . . . 0.0 110.353 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -63.52 -50.26 70.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.257 0.551 . . . . 0.0 111.088 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 64.1 mt -64.88 -25.45 37.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.114 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.777 HG23 ' O ' ' B' ' 26' ' ' SER . 25.1 t -68.09 -43.92 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' B' ' 32' ' ' ASN . 28.1 pttt -60.43 -41.62 94.36 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.421 -0.512 . . . . 0.0 109.922 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ASN . . . . . 0.455 ' N ' ' HG2' ' B' ' 31' ' ' LYS . 26.0 t-20 -68.25 -37.51 80.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.857 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.575 HH21 ' NH2' ' B' ' 35' ' ' ARG . 52.5 ttt180 -79.65 -3.84 49.02 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.851 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.531 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . -22.77 97.84 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.947 0.403 . . . . 0.0 111.23 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.575 ' NH2' HH21 ' B' ' 33' ' ' ARG . 38.6 ttm180 -83.3 -10.73 58.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.201 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.422 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 6.8 mmp_? -96.41 -1.47 47.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.755 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' B' ' 39' ' ' MET . 0.6 OUTLIER 60.87 43.14 12.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.412 179.513 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -40.94 -27.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.75 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' MET . . . . . 0.468 ' C ' ' SD ' ' B' ' 39' ' ' MET . 0.9 OUTLIER -71.16 -70.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.495 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.37 -43.03 98.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.423 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.477 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 17.9 p -53.99 -47.92 70.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.085 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.455 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 59.2 t30 -78.68 -39.82 35.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.683 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.455 ' OXT' ' O ' ' B' ' 42' ' ' ASN . 6.3 tt . . . . . 0 C--O 1.222 -0.363 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.8 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.964 0.412 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 10' ' ' VAL . 93.9 mt-10 -54.35 -22.83 13.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.588 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.74 -27.97 65.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.031 0.443 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -78.27 -53.88 6.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.055 0.455 . . . . 0.0 110.02 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 mm -61.88 -40.03 85.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.657 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 6' ' ' GLU . 25.3 t -58.34 -49.44 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.124 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -54.72 -53.79 50.34 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.613 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -63.23 -42.01 99.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.537 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -59.08 -39.9 83.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.299 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -56.23 -51.49 67.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.3 -47.48 75.52 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.315 0.578 . . . . 0.0 110.205 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -60.38 -46.87 88.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.331 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.13 -39.88 58.48 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.89 -46.12 89.32 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.296 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.7 -40.15 96.24 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.549 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -84.88 71.28 10.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.078 0.466 . . . . 0.0 110.644 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -58.92 -41.23 86.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.524 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' C ' ' A' ' 23' ' ' GLY . 50.3 p-10 -91.89 33.79 1.03 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.65 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 17.74 57.53 0.01 OUTLIER Glycine 0 C--N 1.349 1.254 0 O-C-N 123.768 0.667 . . . . 0.0 112.083 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.0 p-10 -86.93 -25.76 24.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.274 0.559 . . . . 0.0 110.818 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 113.2 -26.54 10.31 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.427 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 12.8 m -128.83 175.84 8.31 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 117.283 0.542 . . . . 0.0 110.163 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -119.84 126.48 75.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 m -102.69 152.75 20.85 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.918 0.39 . . . . 0.0 110.913 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.0 t -47.49 -43.99 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.046 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.93 -51.11 70.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.91 -43.74 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.02 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.654 HD22 HD11 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -61.53 -40.32 94.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.036 179.379 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.98 90.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.735 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 m -60.99 -51.65 68.36 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.956 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -62.26 -46.8 95.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.437 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.654 HD11 HD22 ' A' ' 32' ' ' LEU . 70.9 mt -61.64 -43.03 96.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.465 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -55.88 -38.19 69.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.113 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -91.64 22.02 4.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -127.46 3.19 6.24 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.673 0.273 . . . . 0.0 110.749 179.581 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.419 ' CG ' ' H ' ' A' ' 41' ' ' GLN . 0.6 OUTLIER 179.28 -80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.287 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.419 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 56.4 tt0 -154.88 -88.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.764 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 43' ' ' PRO . 20.0 t30 179.44 87.75 0.18 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.503 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.485 ' O ' ' O ' ' A' ' 42' ' ' ASN . 51.0 Cg_exo -52.92 -151.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.732 2.288 . . . . 0.0 111.851 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.495 HG22 ' H ' ' A' ' 46' ' ' GLU . 49.4 m -109.08 137.31 47.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.045 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.645 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 1.3 pm0 -59.4 -40.62 87.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.576 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' H ' HG22 ' A' ' 44' ' ' THR . 80.7 tt0 -60.14 -40.36 89.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.412 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.72 -32.75 74.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.501 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.56 -55.63 5.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.71 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -53.3 -37.98 62.74 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' GLU . 27.3 t70 -65.21 -47.1 78.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.3 ttm -58.59 -46.01 87.87 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.945 0.402 . . . . 0.0 110.605 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.723 HD12 HD11 ' A' ' 63' ' ' ILE . 47.2 mm -64.9 -40.24 88.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.8 p -79.16 -22.73 44.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.607 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' ASP . 45.0 tp10 -57.15 -44.59 83.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.88 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' A' ' 57' ' ' ALA . 95.6 t -104.8 -57.17 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.277 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -43.08 89.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.753 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -46.74 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.325 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.522 ' O ' ' C ' ' A' ' 59' ' ' GLY . 5.6 p30 -59.9 1.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.066 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 16.86 60.99 0.01 OUTLIER Glycine 0 C--N 1.347 1.175 0 O-C-N 123.999 0.812 . . . . 0.0 111.276 179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -75.91 -10.67 59.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.409 . . . . 0.0 110.678 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.06 1.89 48.52 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.7 p -139.71 148.31 42.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.723 HD11 HD12 ' A' ' 52' ' ' ILE . 33.5 mt -100.29 124.24 53.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.945 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -84.75 161.01 20.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.175 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -50.93 -48.29 60.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.093 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -60.62 -39.01 86.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.49 -52.35 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.092 0.472 . . . . 0.0 110.542 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -55.28 -40.02 70.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.563 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.459 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -60.1 -60.61 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.605 -179.592 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.8 m -52.32 -39.58 60.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.292 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -59.69 -56.79 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.538 -178.745 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.1 mmt -67.11 -41.68 85.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.061 0.458 . . . . 0.0 111.059 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.52 80.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.343 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -75.18 -57.31 3.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -79.01 122.19 25.87 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.615 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.608 ' O ' HG12 ' A' ' 76' ' ' VAL . 47.7 t -153.16 77.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.45 178.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 76' ' ' VAL . 33.5 ttmt -27.65 87.76 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.506 0.504 . . . . 0.0 111.39 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 76' ' ' VAL . 34.5 t70 -117.67 15.89 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.057 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.9 p -114.93 59.23 0.7 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.029 0.442 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.614 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 1.4 p-10 -165.64 89.48 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.94 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.32 -58.41 8.11 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.77 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 85' ' ' LEU . 84.2 tt0 -75.1 -66.66 0.73 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.381 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' GLU . 1.9 tm-20 -35.44 -47.43 0.44 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.337 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -67.63 -47.2 70.29 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.333 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' GLU . 46.4 mt -66.72 -14.63 62.77 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.61 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.01 -48.76 11.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.734 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.551 ' CD ' HH21 ' B' ' 38' ' ' ARG . 81.4 tt0 -65.85 -43.1 89.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.58 -0.448 . . . . 0.0 109.916 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.467 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -57.36 -49.57 75.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.611 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.9 -42.27 93.45 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.828 0.347 . . . . 0.0 110.284 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -57.03 -34.31 68.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.262 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.45 -59.11 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.042 0.448 . . . . 0.0 110.614 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.467 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 4.5 m-85 -54.7 -44.26 73.26 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.415 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 96' ' ' GLN . 45.6 t0 -87.15 64.09 8.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.497 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -40.71 -56.56 2.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 111.499 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.451 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 3.1 m-20 -63.76 -9.98 17.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.119 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 93' ' ' ASP . 24.9 pt20 42.95 27.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.799 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -72.96 2.21 7.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.674 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.05 -0.13 60.3 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -138.13 143.45 40.35 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.772 0.32 . . . . 0.0 110.253 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mt -96.22 112.79 29.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -79.21 153.1 30.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.404 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.99 90.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.3 m -59.66 -41.3 90.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.029 0.442 . . . . 0.0 110.775 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.451 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 50.2 mt-10 -64.38 -58.78 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.869 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.564 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 47.7 tp -61.09 -23.71 65.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.226 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -77.25 -49.7 14.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -53.78 -51.94 61.81 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.989 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' A' ' 111' ' ' ASN . 47.5 t -59.09 -64.29 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.939 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 108' ' ' VAL . 6.0 tpt -30.2 -68.98 0.07 Allowed 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.383 0.427 . . . . 0.0 110.731 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 18.8 tt -57.07 -34.81 45.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.017 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 108' ' ' VAL . 0.7 OUTLIER -52.66 -13.26 0.37 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.661 0.267 . . . . 0.0 110.737 -179.664 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.597 HD13 HH11 ' B' ' 33' ' ' ARG . 3.9 mm? -92.69 -104.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -154.72 68.96 0.29 Allowed Glycine 0 C--N 1.322 -0.234 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.525 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 82.9 tt0 -169.11 127.06 0.98 Allowed 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.523 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.63 119.96 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.035 0.445 . . . . 0.0 110.314 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 116' ' ' LEU . 4.3 mm? -101.96 166.47 10.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.447 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 121' ' ' VAL . 19.3 p -136.5 177.42 7.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.322 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 32.3 p-10 -71.85 -33.97 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.654 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.418 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 80.7 mm-40 -73.85 -57.02 4.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.456 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 43.3 tp10 -51.08 -44.86 61.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.391 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 117' ' ' THR . 62.1 t -63.38 -46.16 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.165 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -66.58 -32.4 73.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -61.33 -64.45 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.603 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 1.2 ttp -55.03 -41.7 71.71 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.527 -178.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.8 mm -62.18 -42.0 93.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.717 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -75.16 -29.7 60.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -84.42 -66.05 0.94 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.046 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.465 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -41.59 -32.69 0.38 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 110.295 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.442 ' OD2' ' OD1' ' A' ' 133' ' ' ASP . 63.7 t0 -89.39 114.32 25.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.365 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.82 -45.0 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.307 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 12.5 p30 -86.05 -1.83 57.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.462 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.2 42.26 3.12 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.442 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 27.6 p-10 -71.53 -1.1 12.22 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.549 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.73 -10.4 45.21 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -144.28 168.38 20.21 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.635 0.255 . . . . 0.0 110.408 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.8 t -115.3 126.23 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.702 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -92.14 149.69 21.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.355 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -43.83 -42.15 5.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.193 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.83 -50.14 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.435 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 95.6 mt-10 -61.78 -43.1 99.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.194 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.26 -49.79 76.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.089 0.471 . . . . 0.0 109.999 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 20.0 t -57.6 -47.2 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.837 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -60.65 -31.78 70.98 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.815 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.481 ' O ' ' SD ' ' A' ' 144' ' ' MET . 1.6 tmm? -67.0 -38.15 85.49 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.925 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 tpp -84.66 -17.22 39.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.377 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 C--N 1.327 -0.391 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.208 -179.575 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 ttp85 -60.43 -42.54 96.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.524 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.91 -40.01 95.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.431 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.525 ' NH1' ' OE2' ' A' ' 114' ' ' GLU . 14.3 tpp180 -58.86 -45.08 90.98 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.169 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.603 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 11.5 m95 -62.83 -47.39 83.61 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.208 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -65.42 -36.59 84.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.8 t -60.32 -48.06 83.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.573 ' O ' HG23 ' B' ' 30' ' ' VAL . 94.8 p -60.77 -43.14 98.43 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.094 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.19 -43.49 84.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.786 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.2 p -66.64 -41.99 87.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.338 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.449 ' CG2' HD12 ' A' ' 112' ' ' LEU . 68.3 mt -63.13 -41.02 91.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 26' ' ' SER . 38.9 t -59.39 -44.35 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.09 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -64.33 -43.84 93.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.465 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -68.28 -41.46 80.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.588 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.597 HH11 HD13 ' A' ' 112' ' ' LEU . 70.1 ttt180 -74.72 -44.74 48.41 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.002 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.524 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 63.0 -66.1 0.09 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.252 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.576 ' NH2' ' CZ ' ' B' ' 33' ' ' ARG . 42.6 ttm-85 70.21 -38.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 123.413 0.446 . . . . 0.0 110.306 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.524 ' H ' ' C ' ' B' ' 34' ' ' ALA . 33.9 ttm180 -106.14 -0.72 24.44 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.607 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.484 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.7 OUTLIER 65.68 62.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.055 0.455 . . . . 0.0 109.845 179.325 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.551 HH21 ' CD ' ' A' ' 87' ' ' GLU . 2.4 mtp85 -56.17 -33.62 65.41 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.163 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' B' ' 39' ' ' MET . 1.8 mpt? -69.48 -63.14 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.77 -42.21 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.093 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 44.2 t -56.34 -43.25 78.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.298 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.468 ' O ' ' C ' ' B' ' 43' ' ' LEU . 4.0 m120 -94.32 -3.27 50.78 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.947 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.543 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.007 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.888 0.375 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 10' ' ' VAL . 54.7 mp0 -54.32 -32.68 57.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.589 -179.692 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.546 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 1.3 mp0 -57.02 -35.92 69.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.867 0.365 . . . . 0.0 110.348 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.09 -53.9 13.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.172 0.511 . . . . 0.0 110.411 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.68 -39.07 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.138 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 6' ' ' GLU . 25.5 t -59.17 -48.67 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.322 -179.595 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 7' ' ' GLU . 1.3 m-20 -54.76 -52.76 61.56 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 120.446 -0.502 . . . . 0.0 109.984 -179.308 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -62.61 -40.65 97.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.033 179.311 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -60.72 -42.69 97.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.477 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -55.88 -52.73 63.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.23 -179.696 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.17 75.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.996 0.426 . . . . 0.0 110.44 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.523 ' CE1' ' OD2' ' A' ' 20' ' ' ASP . 3.1 t80 -60.07 -47.28 86.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.233 179.415 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.97 -37.43 58.11 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.094 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.14 -43.36 92.14 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.802 179.596 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.42 -35.65 76.3 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.807 -179.312 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.523 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 96.9 m-20 -93.38 82.88 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.562 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' NZ ' HG22 ' A' ' 35' ' ' VAL . 14.7 mptt -56.18 -42.08 76.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.926 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 23' ' ' GLY . 53.4 p-10 -91.71 38.73 0.99 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 -179.529 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.54 65.92 0.01 OUTLIER Glycine 0 C--N 1.344 0.987 0 O-C-N 123.927 0.767 . . . . 0.0 111.705 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 50.5 p-10 -91.98 -24.67 19.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.741 0.305 . . . . 0.0 110.489 -179.146 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 115.52 -26.98 8.68 Favored Glycine 0 N--CA 1.466 0.678 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.4 p -125.07 174.49 8.0 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 117.096 0.448 . . . . 0.0 109.915 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.3 mt -114.52 118.62 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.957 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -90.23 -173.66 3.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.544 HG21 ' NE2' ' A' ' 49' ' ' GLN . 43.6 t -83.85 -43.54 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.62 179.603 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -64.69 -40.03 94.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.591 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 39.0 mt-10 -68.68 -49.98 54.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.356 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 32' ' ' LEU . 5.8 tt -60.32 -40.09 89.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.027 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.74 98.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.259 179.345 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.5 m -57.67 -46.47 84.22 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.416 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.417 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 97.5 t -59.8 -45.62 94.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 40' ' ' ASP . 79.1 mt -63.43 -43.34 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 178.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -51.77 -46.0 63.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.67 -178.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.9 t -75.36 -39.93 58.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.217 0.532 . . . . 0.0 110.61 179.141 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -4.28 40.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.81 -178.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' ILE . 21.0 m-20 -150.17 -124.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.392 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -127.01 -108.31 0.31 Allowed 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.637 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -144.53 77.34 13.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.711 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.56 165.44 27.14 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.92 2.413 . . . . 0.0 111.794 179.605 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 m -78.0 133.44 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 48' ' ' LEU . 72.6 tt0 -53.35 -46.36 69.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.573 179.701 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -40.89 -42.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 0.0 110.619 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.06 -33.89 76.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.325 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' GLU . 9.3 mp -74.6 -45.0 48.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 179.501 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.544 ' NE2' HG21 ' A' ' 29' ' ' VAL . 18.5 mm-40 -68.19 -31.34 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.91 -54.05 15.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.1 ttp -57.05 -44.73 83.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.606 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.6 mt -67.82 -38.62 80.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.397 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 t -66.27 -38.4 87.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -51.62 -39.49 58.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.576 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ALA . 97.4 t -99.52 -53.28 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.774 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 42.6 t0 -47.33 94.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.334 -179.666 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.56 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -44.97 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.983 -179.667 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 59' ' ' GLY . 21.3 p-10 -61.8 6.7 0.06 Allowed 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.56 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 17.18 60.34 0.01 OUTLIER Glycine 0 C--N 1.346 1.126 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 179.516 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 9.4 p-10 -89.86 -21.84 22.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.746 0.308 . . . . 0.0 110.632 -179.037 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.33 7.86 39.41 Favored Glycine 0 N--CA 1.463 0.438 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.551 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 15.9 p -133.41 123.69 25.8 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.492 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.0 mt -97.77 124.12 50.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -89.55 170.72 10.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.334 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -55.07 -43.73 74.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.336 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.29 -42.54 95.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -72.03 -43.6 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.652 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.55 -44.51 93.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.087 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.7 tt -63.12 -45.81 90.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.066 0.46 . . . . 0.0 110.267 -179.677 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.9 m -59.59 -44.23 93.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.47 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mt -59.83 -47.98 83.52 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.598 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.514 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -69.5 -40.91 76.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.951 0.405 . . . . 0.0 110.952 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.44 -36.33 77.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.6 -179.384 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -62.21 1.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.669 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.56 ' O ' ' C ' ' A' ' 76' ' ' VAL . 43.3 tptt -45.84 -81.57 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.289 -179.09 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.589 ' O ' ' CB ' ' A' ' 77' ' ' LYS . 95.2 t -9.46 123.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.953 0 O-C-N 124.539 1.15 . . . . 0.0 110.81 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.589 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 45.4 tttp 98.17 106.63 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.674 1.234 . . . . 0.0 110.825 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 27.2 t0 90.9 13.03 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.084 0.865 . . . . 0.0 111.066 178.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.508 ' OG1' ' NH2' ' B' ' 38' ' ' ARG . 22.6 p -66.04 48.04 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.751 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 78' ' ' ASP . 90.4 m-20 61.79 144.63 0.02 OUTLIER 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.557 0.536 . . . . 0.0 111.221 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.11 -54.6 6.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.906 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -53.79 -17.03 2.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.552 -179.642 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -89.28 -50.75 5.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.728 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.459 ' OE2' ' OG1' ' A' ' 79' ' ' THR . 90.1 mt-10 -67.73 -35.69 79.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.986 0.422 . . . . 0.0 110.13 179.669 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.538 HD21 HG22 ' A' ' 142' ' ' VAL . 1.1 tp -76.19 -35.9 58.89 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.548 -179.061 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -84.66 -45.22 12.7 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.869 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -62.78 -46.93 85.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.201 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.44 -52.03 67.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.891 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.31 -41.09 83.71 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.211 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -55.69 -35.89 66.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 -179.665 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.5 t -73.34 -57.73 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 3.7 m-85 -56.64 -47.56 79.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.021 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.616 ' O ' ' N ' ' A' ' 96' ' ' GLN . 40.0 t0 -86.64 56.54 4.05 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.556 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -38.53 -51.83 1.6 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.832 0.349 . . . . 0.0 110.871 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.455 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.1 m-20 -64.46 -19.68 65.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.553 -179.321 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.616 ' N ' ' O ' ' A' ' 93' ' ' ASP . 88.7 mt-30 60.43 11.13 2.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.448 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.432 ' O ' ' CE2' ' A' ' 99' ' ' TYR . 28.5 p-10 -59.85 -0.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 89.54 4.7 73.01 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.432 ' CE2' ' O ' ' A' ' 97' ' ' ASN . 5.3 m-85 -136.57 141.88 43.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.633 0.254 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.2 mt -97.64 114.19 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.961 0.41 . . . . 0.0 109.926 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.5 t -82.77 149.32 27.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.708 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.06 -42.74 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 72.3 p -60.0 -40.95 90.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.589 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.455 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 90.7 mt-10 -64.51 -57.95 7.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.274 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.412 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 54.9 tp -60.06 -22.41 62.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.485 ' O ' HG22 ' A' ' 110' ' ' ILE . 73.1 ttt-85 -82.6 -41.48 19.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.968 179.654 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -57.31 -53.09 62.02 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.966 -179.736 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 112' ' ' LEU . 11.2 t -60.67 -64.97 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.979 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 108' ' ' VAL . 1.5 mmt -32.13 -76.87 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.492 0.495 . . . . 0.0 110.976 -179.486 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.618 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.9 tt -49.31 -47.49 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.722 -179.105 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.618 ' N ' HG23 ' A' ' 110' ' ' ILE . 48.5 t30 -66.42 -8.89 28.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 -179.692 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 108' ' ' VAL . 9.5 tp -89.2 14.56 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.955 -179.395 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.76 67.44 1.57 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -171.66 138.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.321 . . . . 0.0 110.297 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 98.61 8.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.34 . . . . 0.0 110.592 -179.733 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.1 mt -109.4 130.05 55.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.494 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.4 p -70.73 169.74 13.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.251 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 17.2 p-10 -64.09 -31.97 73.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.502 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.44 -49.54 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.476 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 26.8 tp10 -57.91 -44.09 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.262 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.6 t -65.59 -43.71 93.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.389 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -59.49 -26.31 65.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.308 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.416 ' O ' ' OE1' ' A' ' 127' ' ' GLU . 71.3 mt-30 -76.82 -65.05 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.495 179.231 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.0 ttt -39.73 -51.65 2.33 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.915 0.388 . . . . 0.0 111.009 -179.247 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.571 HG23 ' N ' ' A' ' 126' ' ' LYS . 9.7 tp -63.25 -44.97 99.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.61 -179.751 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.571 ' N ' HG23 ' A' ' 125' ' ' ILE . 64.2 tttp -65.91 -32.36 73.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.766 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 123' ' ' GLN . 2.1 mp0 -74.46 -55.86 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.356 -179.221 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.557 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -52.12 -30.18 25.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.393 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 22.0 t0 -83.75 100.61 11.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.862 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.8 mt -73.66 -38.51 64.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.425 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 20.0 p-10 -92.05 1.9 56.91 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 -179.356 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 54.4 112.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.877 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.454 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 10.8 m-20 -158.56 10.88 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.784 0.325 . . . . 0.0 110.548 179.813 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.49 0.6 12.23 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -148.82 160.67 43.01 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.875 0.369 . . . . 0.0 110.427 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.8 t -117.91 125.51 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 CA-C-O 121.153 0.502 . . . . 0.0 110.538 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 1.5 m-20 -88.24 150.08 23.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.375 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.538 ' CE2' HG21 ' A' ' 142' ' ' VAL . 68.3 t80 -45.84 -42.1 11.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.145 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.63 -49.91 75.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.83 -40.36 97.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.136 179.587 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -60.2 -52.38 65.56 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.92 0.39 . . . . 0.0 110.497 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.538 HG22 HD21 ' A' ' 85' ' ' LEU . 52.1 t -57.95 -44.49 86.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.045 -179.471 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -64.22 -37.06 86.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.919 0.39 . . . . 0.0 111.207 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -35.64 78.87 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.2 ttm -90.46 -15.44 30.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.025 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.9 mmt . . . . . 0 N--CA 1.466 0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.259 -179.791 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -62.13 -43.94 97.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.399 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -65.34 -39.17 92.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.588 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.476 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 10.8 tpp85 -59.96 -46.33 89.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.47 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.557 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 8.8 m95 -66.7 -47.27 72.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.956 0.408 . . . . 0.0 110.031 179.009 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -64.12 -37.89 89.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.783 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 68.3 m -61.22 -43.44 98.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.17 179.358 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.755 ' O ' HG23 ' B' ' 30' ' ' VAL . 50.2 p -60.18 -43.66 95.68 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.31 -43.88 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.223 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -65.25 -46.73 79.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.264 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.98 -41.63 91.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.602 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.755 HG23 ' O ' ' B' ' 26' ' ' SER . 54.0 t -61.31 -42.78 94.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.004 179.437 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.404 ' HD3' ' H ' ' A' ' 77' ' ' LYS . 3.8 ttmp? -57.8 -46.04 85.2 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.066 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -65.25 -39.15 92.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.057 179.132 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.671 ' O ' ' N ' ' B' ' 35' ' ' ARG . 61.5 ttp180 -63.91 -45.75 87.91 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.626 -179.768 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.595 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 47.07 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 O-C-N 123.67 0.606 . . . . 0.0 110.663 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.671 ' N ' ' O ' ' B' ' 33' ' ' ARG . 44.1 ttm180 66.57 -33.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.537 0.523 . . . . 0.0 110.068 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.595 ' H ' ' C ' ' B' ' 34' ' ' ALA . 55.5 ttm-85 -87.73 -8.49 55.99 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.121 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.497 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.9 OUTLIER 67.03 42.46 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.407 179.38 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.508 ' NH2' ' OG1' ' A' ' 79' ' ' THR . 14.5 mtm180 -38.13 -34.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.668 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.0 ttt -65.05 -71.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.66 -43.06 98.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.469 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.4 m -54.7 -44.96 73.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.526 -179.465 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.404 ' C ' HD22 ' B' ' 43' ' ' LEU . 42.7 t-20 -63.58 -41.94 98.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.375 179.841 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.557 HD22 ' N ' ' B' ' 43' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.423 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 121.255 0.55 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -57.52 -27.03 62.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.558 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -48.17 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.834 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -49.22 -45.16 44.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 mm -61.21 -44.03 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.234 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.0 t -55.64 -46.97 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -54.39 -48.27 71.74 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.38 0.609 . . . . 0.0 109.889 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -62.94 -41.95 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.033 178.374 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -56.79 -37.54 71.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.994 -179.572 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.13 -50.19 71.4 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.371 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.0 -42.54 63.07 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.089 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.534 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 18.3 t80 -59.98 -45.79 91.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.173 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.91 -41.13 58.59 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.59 -42.98 99.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.563 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 15.0 m-85 -62.21 -40.73 97.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.582 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.534 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 93.3 m-20 -105.85 74.97 1.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.721 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -53.84 -18.35 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.8 p30 -106.67 34.34 3.46 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.27 61.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.891 -0.483 . . . . 0.0 111.891 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 75.5 m-20 -86.61 -29.45 22.56 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 120.364 -0.535 . . . . 0.0 109.768 -178.256 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.507 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 105.42 7.71 36.75 Favored Glycine 0 N--CA 1.467 0.76 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.645 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 41.5 m -154.76 157.28 37.75 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 120.873 0.368 . . . . 0.0 110.291 179.732 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 98.8 mt -112.91 116.52 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.241 179.401 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 m -104.67 151.73 23.35 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.753 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.5 t -49.8 -42.67 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.116 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.71 -59.5 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.579 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 60.2 mt-10 -59.11 -46.18 88.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.002 0.429 . . . . 0.0 110.044 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.94 -40.28 97.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.644 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.98 -46.67 89.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.975 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.431 ' OG1' ' NH2' ' A' ' 37' ' ' ARG . 20.6 m -55.24 -42.81 73.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.105 179.639 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.57 -47.86 91.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.4 mt -65.01 -45.05 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.756 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.431 ' NH2' ' OG1' ' A' ' 34' ' ' THR . 88.4 mtm180 -54.19 -43.05 70.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.285 -179.411 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.61 ' C ' ' H ' ' A' ' 40' ' ' ASP . 4.6 t -63.26 -30.06 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.085 178.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' CD2' ' OG ' ' B' ' 41' ' ' SER . 0.7 OUTLIER -62.23 10.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.61 ' H ' ' C ' ' A' ' 38' ' ' SER . 2.2 t70 80.75 -13.36 0.94 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.539 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -113.67 139.11 49.33 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -129.31 80.38 72.4 Favored Pre-proline 0 N--CA 1.466 0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.159 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.41 155.79 50.29 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.961 2.441 . . . . 0.0 112.1 179.468 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 44' ' ' THR . 0.6 OUTLIER -63.33 143.63 57.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.446 179.815 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -63.4 -28.72 70.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.679 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 81.1 tt0 -60.49 -62.37 1.91 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.955 -179.266 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.502 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 38.5 tp10 -59.58 -27.24 66.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.111 0.481 . . . . 0.0 110.575 -179.609 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 48' ' ' LEU . 33.6 tp -80.44 -39.92 27.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -68.56 -42.25 78.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.042 -178.506 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 51' ' ' MET . 2.5 p30 -72.53 -44.72 61.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.752 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.554 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 35.0 ttp -57.76 -45.99 85.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.588 -179.438 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.82 -42.23 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.009 179.21 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.1 p -74.11 -27.64 60.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 -179.516 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 50' ' ' ASP . 83.2 tt0 -65.24 -43.35 91.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.54 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 82.6 t -75.75 -44.26 39.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.683 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -76.04 108.47 8.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.29 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.573 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -43.9 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.1 p30 -60.02 4.13 0.05 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.573 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 18.08 60.22 0.01 OUTLIER Glycine 0 C--N 1.344 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.525 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -82.45 -17.54 44.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.737 0.304 . . . . 0.0 110.555 -178.827 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.86 4.73 48.31 Favored Glycine 0 N--CA 1.464 0.505 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.9 p -135.19 124.19 24.21 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.513 179.674 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.6 mt -92.03 124.39 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.252 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.07 171.93 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.375 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -55.14 -46.09 75.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.48 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.64 -42.25 96.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.86 0.362 . . . . 0.0 110.821 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -71.86 -48.17 47.83 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.551 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -56.79 -45.21 82.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 69' ' ' LEU . 2.8 tt -58.79 -59.86 4.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.63 -178.757 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.4 m -64.27 -43.47 94.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.077 0.465 . . . . 0.0 111.197 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.705 HD23 ' C ' ' A' ' 71' ' ' LEU . 5.6 tt -46.29 -48.16 18.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.698 -179.275 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.532 ' N ' HD23 ' A' ' 71' ' ' LEU . 5.3 tpt -85.18 -61.21 1.82 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.153 -178.882 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.19 -32.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.975 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -88.33 -61.32 1.74 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.438 -179.768 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' O ' HG23 ' A' ' 76' ' ' VAL . 26.1 mtpp -61.73 94.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.116 -179.545 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.618 ' O ' HG12 ' A' ' 76' ' ' VAL . 44.9 t -156.22 79.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.562 179.015 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' A' ' 79' ' ' THR . 62.5 tttm -127.68 -105.24 0.32 Allowed 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 119.084 -0.484 . . . . 0.0 109.894 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' LYS . 99.2 m-20 24.99 -82.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 O-C-N 124.091 0.869 . . . . 0.0 111.425 -179.73 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.604 ' N ' ' O ' ' A' ' 77' ' ' LYS . 55.3 m 60.52 146.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.82 0.7 . . . . 0.0 110.11 178.406 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 18.8 t0 -156.49 138.33 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.24 179.847 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.522 ' N ' ' OD1' ' A' ' 80' ' ' ASP . . . -63.8 -58.49 6.66 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.435 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -54.62 -32.64 59.2 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.104 0.478 . . . . 0.0 111.487 -179.511 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -76.08 -47.3 25.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.179 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 30.1 tt0 -76.64 -32.01 57.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.105 0.478 . . . . 0.0 110.675 -179.489 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.64 -40.15 92.19 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.292 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -83.46 -43.73 15.5 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.284 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 91' ' ' VAL . 78.6 tt0 -64.41 -38.27 90.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.233 -179.523 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -66.74 -59.22 3.76 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.139 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -54.05 -41.99 68.74 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -59.01 -37.75 77.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 87' ' ' GLU . 70.6 t -74.15 -51.63 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.967 0.413 . . . . 0.0 110.656 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 8.3 m-30 -60.66 -48.41 81.9 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.639 -179.566 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 96' ' ' GLN . 34.8 t0 -84.19 68.2 10.04 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.307 0.379 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -40.88 -59.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.178 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 55.6 p-10 -66.9 -4.14 8.68 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.98 -179.54 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 93' ' ' ASP . 12.0 pt20 34.89 59.26 0.7 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.483 0.49 . . . . 0.0 110.706 179.292 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -96.98 3.05 52.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.417 -179.244 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.8 1.72 58.62 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.471 ' CG ' ' NE2' ' A' ' 135' ' ' GLN . 2.7 m-85 -145.49 150.05 35.76 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 110.156 179.671 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.0 mt -97.65 117.24 42.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.222 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 m -84.93 147.92 26.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.349 179.566 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.9 -45.54 74.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.635 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.522 ' OG ' ' NE2' ' A' ' 107' ' ' HIS . 11.7 t -60.7 -44.09 96.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 110.635 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -59.53 -55.14 38.31 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 121.073 0.463 . . . . 0.0 110.443 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.621 HD21 ' SD ' ' A' ' 124' ' ' MET . 43.2 tp -62.43 -21.41 65.4 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.393 179.17 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.478 ' O ' HG22 ' A' ' 110' ' ' ILE . 60.6 ttp180 -82.45 -41.56 19.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.793 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.552 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 37.8 m-70 -56.33 -50.79 70.46 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.607 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 109' ' ' MET . 13.9 t -62.32 -63.88 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.898 179.536 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -32.12 -74.68 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.517 0.51 . . . . 0.0 111.233 -179.098 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.629 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.7 tt -49.05 -47.97 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.629 ' N ' HG23 ' A' ' 110' ' ' ILE . 94.4 m-20 -61.45 -15.49 37.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.278 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 108' ' ' VAL . 3.7 mp -113.77 7.69 17.21 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 179.168 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.57 109.3 3.3 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 2.7 tt0 -172.47 179.22 2.55 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.125 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 12.5 mttp 161.77 52.42 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.599 0.714 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.498 HD11 ' NH1' ' B' ' 22' ' ' ARG . 22.8 mt -104.9 138.03 41.75 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.764 -179.917 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.6 p -48.57 150.0 1.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.598 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -45.44 -42.37 10.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.496 -179.749 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -56.41 -46.61 80.11 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.36 0.6 . . . . 0.0 110.501 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -63.56 -38.49 91.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.238 179.174 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.43 ' O ' ' HB3' ' A' ' 124' ' ' MET . 57.6 t -58.96 -42.47 86.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.42 0.628 . . . . 0.0 109.638 179.368 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -54.31 -57.76 9.99 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.601 -0.439 . . . . 0.0 109.916 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -55.45 -26.04 39.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.485 0.66 . . . . 0.0 110.954 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.621 ' SD ' HD21 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -60.24 -54.77 41.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.373 -179.4 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.2 tt -86.21 -29.37 6.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.047 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -60.03 -27.3 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.607 -178.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -68.6 -49.73 57.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.16 -179.289 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.29 -6.73 52.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.174 0.511 . . . . 0.0 110.652 -179.696 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.485 ' OD1' ' O ' ' A' ' 132' ' ' GLY . 0.2 OUTLIER -88.82 91.61 8.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.558 179.66 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.633 HD22 ' N ' ' A' ' 130' ' ' LEU . 3.8 mm? -70.11 -57.63 4.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.805 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -91.77 1.05 57.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.0 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.61 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 70.72 -75.53 0.56 Allowed Glycine 0 C--O 1.224 -0.491 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.952 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.571 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 6.1 p30 40.74 16.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.665 0.269 . . . . 0.0 110.422 -179.042 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 75.7 -20.14 2.38 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.463 -0.399 . . . . 0.0 112.299 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.571 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 12.9 pt20 -136.88 174.44 10.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.785 0.802 . . . . 0.0 110.837 -178.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.7 t -110.2 123.01 65.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.828 179.38 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.9 OUTLIER -80.53 154.68 27.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.409 179.504 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.419 ' CE1' HG21 ' A' ' 142' ' ' VAL . 40.6 t80 -55.38 -44.35 76.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -54.74 -44.42 73.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.252 -179.567 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.32 -38.22 88.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.312 179.521 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.01 -48.19 82.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.793 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.419 HG21 ' CE1' ' A' ' 138' ' ' TYR . 88.2 t -60.6 -44.42 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.673 -179.712 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -60.25 -41.41 93.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.053 -179.35 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.515 ' O ' ' SD ' ' A' ' 144' ' ' MET . 6.0 tmm? -72.64 -37.7 67.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.129 0.49 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.2 tpt -63.56 -33.73 76.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.935 -179.483 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.8 mmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 -179.332 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 -59.81 -47.26 86.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -66.07 -40.74 91.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.56 -179.099 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.498 ' NH1' HD11 ' A' ' 116' ' ' LEU . 84.7 mtt-85 -61.6 -42.33 98.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.984 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.574 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 3.6 m95 -60.88 -48.39 82.03 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.034 178.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -66.03 -34.0 77.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.774 179.27 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.4 t -60.59 -46.89 88.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.149 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.463 ' O ' HG23 ' B' ' 30' ' ' VAL . 28.7 m -60.75 -43.8 97.52 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.259 179.404 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.8 t -67.66 -42.83 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.207 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -61.58 -42.52 98.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.56 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 56.6 mt -61.34 -41.96 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.757 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 26' ' ' SER . 64.0 t -60.35 -40.06 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.523 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -60.03 -46.68 88.73 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.229 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -67.23 -38.72 85.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.134 178.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.623 ' NH2' ' NH2' ' B' ' 35' ' ' ARG . 58.5 ttt85 -67.74 -44.38 77.72 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.341 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . 36.83 92.08 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.203 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.623 ' NH2' ' NH2' ' B' ' 33' ' ' ARG . 6.3 mmt85 -93.72 7.91 43.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.47 179.677 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.418 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 90.1 mtt-85 -130.73 1.38 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER 62.05 45.96 6.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.419 179.572 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.525 ' NE ' ' OE1' ' A' ' 87' ' ' GLU . 65.7 mtp180 -39.73 -37.6 0.55 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.992 0.425 . . . . 0.0 110.653 -179.279 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 85.1 mmm -67.39 -68.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.156 -179.498 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.56 -43.09 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.588 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.487 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 30.2 t -55.33 -44.68 76.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.222 -179.229 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -64.16 -41.56 97.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 179.546 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.536 ' N ' HD12 ' B' ' 43' ' ' LEU . 10.5 mp . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.38 -179.823 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p . . . . . 0 C--O 1.223 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -57.63 -14.52 5.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.76 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 7' ' ' GLU . 11.6 mp0 -60.54 -57.44 12.71 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.941 0.4 . . . . 0.0 110.54 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -47.06 -40.25 14.59 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.091 -179.515 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.7 mm -66.33 -42.71 91.14 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.293 179.152 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.89 -47.73 85.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.704 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.81 -53.62 54.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.301 0.572 . . . . 0.0 110.233 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -58.21 -42.57 86.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.621 179.362 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -62.03 -40.27 95.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.418 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -58.88 -51.61 69.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.377 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.44 -37.78 70.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.936 0.398 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 59.2 t80 -63.72 -47.57 80.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.602 179.068 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.24 -36.02 61.51 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.456 -1.057 . . . . 0.0 110.456 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.55 -46.01 77.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.681 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.539 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 8.2 m-85 -56.0 -34.35 65.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.165 -179.407 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.417 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 97.9 m-20 -103.31 79.8 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.846 -179.678 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' NZ ' HG22 ' A' ' 35' ' ' VAL . 46.9 mttm -56.92 -15.98 5.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.276 -179.212 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' GLY . 50.6 p30 -117.14 35.1 4.79 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.763 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.35 56.45 0.01 OUTLIER Glycine 0 C--N 1.349 1.288 0 O-C-N 123.963 0.789 . . . . 0.0 111.781 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 25.8 p-10 -81.96 -27.61 33.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.933 0.397 . . . . 0.0 110.764 -178.913 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.37 7.27 28.49 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 20.7 m -159.51 163.01 35.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.4 mt -116.69 119.4 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 m -97.14 151.57 19.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.017 0.436 . . . . 0.0 111.134 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.0 t -46.01 -41.69 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.119 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.31 -56.91 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -57.0 -45.14 83.23 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -61.47 -41.43 97.23 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.881 -178.587 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.64 -47.92 78.68 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.759 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 m -60.16 -54.78 41.75 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.204 -179.257 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.412 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 83.9 t -48.27 -46.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.442 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.407 ' CD1' HD12 ' A' ' 32' ' ' LEU . 77.3 mt -62.47 -43.62 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.602 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.81 -29.8 65.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.944 0.402 . . . . 0.0 110.676 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.427 ' C ' ' H ' ' A' ' 40' ' ' ASP . 25.0 p -56.78 -31.32 64.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.389 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 41' ' ' GLN . 5.7 mp -75.74 13.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.366 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 38' ' ' SER . 11.8 t0 72.73 -18.6 0.34 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.49 ' H ' ' C ' ' A' ' 39' ' ' LEU . 77.9 mt-30 -78.45 168.65 19.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.289 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -156.74 84.15 3.11 Favored Pre-proline 0 C--N 1.323 -0.554 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.703 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -75.61 170.62 19.85 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.796 2.331 . . . . 0.0 111.942 -179.728 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.518 HG22 ' H ' ' A' ' 46' ' ' GLU . 73.8 m -79.91 155.76 27.6 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.549 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.437 ' N ' HG22 ' A' ' 44' ' ' THR . 12.2 pt-20 -73.67 -40.74 63.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.534 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.518 ' H ' HG22 ' A' ' 44' ' ' THR . 80.7 mm-40 -49.31 -60.87 2.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.506 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.59 -67.45 0.33 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -43.66 -46.02 7.17 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.616 -178.667 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 66.3 tt0 -66.09 -37.14 85.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.255 179.635 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -66.93 -43.87 82.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.498 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.6 tmm? -60.15 -45.7 92.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.774 -179.398 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.412 HG12 HD11 ' A' ' 63' ' ' ILE . 27.2 mt -70.28 -28.8 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.971 0.415 . . . . 0.0 110.32 179.358 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.9 m -68.36 -46.77 69.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.277 -179.46 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -62.55 -37.62 86.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.369 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 t -80.6 -44.8 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.645 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 60' ' ' ASN . 34.3 t0 -69.07 100.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.415 -179.488 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.563 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -49.73 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.913 -179.637 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 59' ' ' GLY . 32.6 p-10 -63.04 8.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.578 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 28.63 62.84 0.12 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.459 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.615 ' CG ' ' HG1' ' A' ' 62' ' ' THR . 38.7 p30 -101.31 26.61 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.464 -179.055 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 49.7 18.95 1.94 Allowed Glycine 0 CA--C 1.518 0.221 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.615 ' HG1' ' CG ' ' A' ' 60' ' ' ASN . 22.7 p -138.46 138.18 37.87 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.692 0.282 . . . . 0.0 110.315 179.445 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.412 HD11 HG12 ' A' ' 52' ' ' ILE . 52.1 mt -102.06 129.82 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.834 0.35 . . . . 0.0 110.47 -179.625 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -94.11 154.92 17.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.359 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -44.0 -50.16 8.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.545 -179.335 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -60.89 -36.78 80.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.394 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.24 -48.35 57.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.497 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.0 -42.77 99.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.296 179.56 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.427 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -58.27 -62.34 1.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.674 -178.778 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.7 p -59.61 -37.28 78.16 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.283 -179.006 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 71' ' ' LEU . 3.0 tm? -62.03 -51.92 66.04 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.801 -178.796 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.558 ' SD ' ' SD ' ' B' ' 39' ' ' MET . 8.0 tpt -73.33 -40.48 64.42 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.413 -179.049 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.4 -23.68 65.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.756 -179.64 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -57.98 -64.58 0.86 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.729 -179.359 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 76' ' ' VAL . 49.9 tptt -42.13 -79.88 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.264 -178.338 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.515 ' C ' ' O ' ' A' ' 75' ' ' LYS . 10.1 t -17.47 108.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 124.296 0.997 . . . . 0.0 110.606 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -170.73 -86.77 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.486 -179.052 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -167.04 -52.86 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.44 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.4 p 54.78 -134.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.686 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 8.8 t0 -76.79 143.46 39.81 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.463 0.649 . . . . 0.0 110.939 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.498 ' N ' ' OD1' ' A' ' 80' ' ' ASP . . . -73.47 -54.86 7.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.776 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.54 -17.42 13.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.11 0.481 . . . . 0.0 110.51 -179.416 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -81.11 -53.64 6.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.435 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.559 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 73.6 mm-40 -72.24 -36.56 69.13 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.258 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.772 HD21 HG22 ' A' ' 142' ' ' VAL . 10.3 tp -67.14 -39.73 86.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.691 -179.332 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -80.36 -43.39 21.2 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 91' ' ' VAL . 11.4 tm-20 -57.61 -42.98 84.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.152 0.501 . . . . 0.0 110.069 -179.8 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.14 -56.05 22.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.923 179.446 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.478 ' CZ ' ' CG ' ' A' ' 93' ' ' ASP . 80.8 t80 -55.88 -38.25 69.9 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.278 179.821 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -57.23 -37.86 72.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 87' ' ' GLU . 82.8 t -72.36 -51.56 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.807 179.306 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -62.52 -49.0 77.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.226 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' GLN . 0.9 OUTLIER -76.92 53.6 0.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.263 0.554 . . . . 0.0 109.74 -179.69 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -42.3 -59.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.307 -178.506 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.452 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 1.5 p-10 -69.01 -3.84 14.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.409 -179.818 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 93' ' ' ASP . 97.3 mt-30 46.43 47.66 13.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.498 179.555 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 54.2 p30 -87.79 -2.87 58.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.519 -179.837 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.432 ' O ' ' OD1' ' A' ' 137' ' ' ASN . . . 92.03 1.47 70.0 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.433 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 6.3 m-85 -144.53 149.95 36.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.7 mt -97.85 115.2 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.556 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -89.49 148.98 23.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.224 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.19 -43.75 32.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.352 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.8 t -58.63 -40.78 84.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.386 . . . . 0.0 110.505 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.452 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 83.1 mt-10 -65.24 -51.87 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.101 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.6 tp -67.61 -26.79 66.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.365 179.655 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.502 ' O ' HG22 ' A' ' 110' ' ' ILE . 61.6 ttp180 -78.62 -45.54 21.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.144 179.556 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -56.75 -48.71 77.2 Favored 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.659 0.599 . . . . 0.0 109.657 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 109' ' ' MET . 52.0 t -63.04 -62.92 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.738 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' VAL . 1.4 mmt -31.8 -73.2 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.055 0.455 . . . . 0.0 111.046 -179.366 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.597 HG23 ' N ' ' A' ' 111' ' ' ASN . 15.7 tt -51.25 -45.5 32.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.753 -179.265 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.597 ' N ' HG23 ' A' ' 110' ' ' ILE . 24.8 t-20 -54.09 -12.01 0.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.541 -179.512 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.433 ' C ' HH12 ' B' ' 33' ' ' ARG . 88.3 mt -99.45 11.03 40.25 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.735 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.72 -55.09 1.4 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.77 111.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.817 0.342 . . . . 0.0 110.5 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -94.59 118.16 31.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.263 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 66.2 mt -110.49 136.66 49.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.424 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.2 p -69.73 168.31 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.515 -179.647 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -64.23 -23.48 67.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.298 -179.769 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -71.3 -46.48 60.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.942 0.401 . . . . 0.0 110.688 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.23 -44.35 84.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.62 -48.42 86.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.25 -27.05 68.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.986 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -67.71 -63.38 1.07 Allowed 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.984 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 5.0 ttp -53.24 -56.44 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.574 -178.103 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 126' ' ' LYS . 19.1 tt -50.96 -38.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.454 -179.377 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.433 ' N ' HG23 ' A' ' 125' ' ' ILE . 60.0 mttm -67.98 -35.74 78.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.76 178.843 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -77.79 -54.71 6.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.454 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -50.67 -38.45 46.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.705 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.551 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 37.4 t0 -69.58 108.18 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.02 -44.03 55.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.688 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.526 ' O ' ' O ' ' A' ' 132' ' ' GLY . 32.9 p30 -89.56 2.09 55.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.038 -179.104 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.526 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 48.44 113.11 0.01 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.352 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.551 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.3 m-20 -153.5 -12.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.238 -0.566 . . . . 0.0 110.657 179.817 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.415 ' H ' ' H ' ' A' ' 133' ' ' ASP . . . 102.73 -9.15 55.25 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.684 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -144.22 149.8 36.94 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.821 0.344 . . . . 0.0 110.397 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.4 t -100.14 124.48 53.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.287 0.565 . . . . 0.0 110.734 179.577 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 98' ' ' GLY . 54.8 t30 -86.73 155.8 20.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.413 179.346 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.507 ' CZ ' HG21 ' A' ' 142' ' ' VAL . 83.0 t80 -51.08 -42.24 60.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.109 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -61.1 -44.52 97.23 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.52 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.425 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 97.5 mt-10 -66.05 -41.94 90.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.154 179.471 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -61.75 -48.13 82.07 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.128 0.49 . . . . 0.0 110.345 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.772 HG22 HD21 ' A' ' 85' ' ' LEU . 28.1 t -60.98 -45.07 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.184 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -59.9 -36.04 76.13 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.22 -179.112 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 ttp -70.62 -30.28 66.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.979 0.418 . . . . 0.0 110.679 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.8 mmt -73.48 -27.16 61.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.009 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.465 0.313 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.541 -179.725 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.517 ' O ' ' SD ' ' A' ' 124' ' ' MET . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -57.46 -39.05 75.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.439 -179.823 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -63.44 -41.87 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.279 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -64.38 -39.31 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.283 179.578 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 2.8 m95 -62.25 -49.93 73.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.021 0.438 . . . . 0.0 110.011 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -65.57 -36.97 85.33 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.879 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m -60.5 -43.74 96.71 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.197 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 89.5 p -60.57 -43.28 97.49 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.286 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.461 ' O ' HG12 ' B' ' 30' ' ' VAL . 95.0 t -70.88 -41.34 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.601 0.715 . . . . 0.0 110.721 179.501 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.2 t -70.44 -39.61 74.25 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.303 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 65.5 mt -65.65 -43.62 93.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.754 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.461 HG12 ' O ' ' B' ' 27' ' ' VAL . 0.3 OUTLIER -63.29 -37.65 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.974 -179.424 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.559 ' NZ ' ' OE1' ' A' ' 84' ' ' GLU . 9.6 ttmm -77.01 -37.28 55.33 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.754 -179.302 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -78.78 -16.0 57.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.062 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.433 HH12 ' C ' ' A' ' 112' ' ' LEU . 24.1 ttm180 -89.75 -58.34 2.55 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.22 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 33.05 57.8 0.46 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.41 0.444 . . . . 0.0 110.896 -179.41 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -60.76 -6.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.169 -178.942 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.468 ' HB2' HD21 ' A' ' 39' ' ' LEU . 28.8 ptt180 -107.53 -4.46 18.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.539 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 1.5 m-85 66.18 48.43 1.68 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.621 -179.439 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -45.56 -31.37 1.8 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.851 0.358 . . . . 0.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 39' ' ' MET . . . . . 0.558 ' SD ' ' SD ' ' A' ' 72' ' ' MET . 45.7 mtt -68.22 -65.4 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.718 -179.486 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.92 -42.3 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.395 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -53.62 -45.56 70.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.197 -179.441 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -64.43 -40.61 96.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.335 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.408 -179.816 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.913 0.387 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 49.2 mp0 -55.7 -25.91 42.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.42 -179.712 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -53.27 -61.04 2.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.549 -179.819 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -47.92 -42.01 26.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.266 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.5 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.3 mp -68.97 -42.1 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.323 179.151 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 6' ' ' GLU . 25.6 t -60.78 -50.05 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.229 -179.559 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -59.74 -47.54 85.26 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.449 -0.5 . . . . 0.0 109.897 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.12 -43.36 99.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.55 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -63.72 -40.74 97.5 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.497 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' HD13 ' A' ' 18' ' ' LEU . 34.8 tp10 -56.95 -50.87 71.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.269 -179.762 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.34 77.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.159 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.7 -48.39 80.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.406 179.218 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.93 -33.32 63.54 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.606 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 14' ' ' GLU . 7.4 mp -66.75 -46.39 75.55 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.905 179.179 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -64.01 -36.17 83.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.656 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 58.8 t0 -92.04 80.18 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.26 0.553 . . . . 0.0 110.878 -179.254 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -64.85 -31.4 72.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.291 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 23' ' ' GLY . 54.3 p-10 -101.44 33.99 2.74 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.133 -179.212 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.511 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.6 57.76 0.01 OUTLIER Glycine 0 C--N 1.351 1.412 0 O-C-N 124.052 0.845 . . . . 0.0 111.857 179.338 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 21.6 p-10 -88.95 -25.38 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.393 . . . . 0.0 110.522 -178.753 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 111.02 -15.61 28.26 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' OD2' ' A' ' 24' ' ' ASP . 2.3 m -145.06 134.24 22.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.105 0.478 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.7 mt -80.9 124.0 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.3 m -94.88 152.69 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.624 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.4 t -45.98 -43.97 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.192 -179.563 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -61.81 -51.88 66.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.571 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.3 mt-10 -56.19 -46.41 79.4 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.698 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.8 tm? -64.01 -43.68 94.92 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.247 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.98 77.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.967 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.3 m -58.27 -43.49 87.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.513 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 31' ' ' GLU . 57.4 t -58.76 -47.04 90.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.514 -179.341 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.419 ' CD1' HD11 ' A' ' 32' ' ' LEU . 27.7 mt -61.09 -42.46 93.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.892 0.377 . . . . 0.0 110.213 -179.842 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -54.02 -41.7 68.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.19 -179.375 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -88.43 16.08 6.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.501 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.568 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -128.13 8.61 6.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.986 179.42 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -176.43 -105.36 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.427 ' CG ' ' H ' ' A' ' 42' ' ' ASN . 1.4 pt20 -129.56 -106.64 0.29 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.661 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.457 ' O ' ' O ' ' A' ' 43' ' ' PRO . 39.6 t30 -163.02 76.3 1.89 Allowed Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.444 -179.788 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 42' ' ' ASN . 50.3 Cg_exo -54.65 -140.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 123.034 2.49 . . . . 0.0 111.892 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.9 t -129.5 148.98 51.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.4 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -65.17 -29.98 70.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -54.44 -47.13 73.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 44' ' ' THR . 41.6 tp10 -60.29 -68.92 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.81 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.0 mt -46.25 -46.22 17.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.232 -179.01 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -57.97 -41.16 82.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.305 179.333 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -66.32 -49.06 68.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.625 179.522 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.8 ttm -62.89 -47.95 81.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.524 -179.453 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.618 ' CD1' HD11 ' A' ' 63' ' ' ILE . 33.8 mm -64.9 -27.42 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.236 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.4 t -82.95 -38.91 22.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.945 0.403 . . . . 0.0 111.415 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -57.97 -35.87 71.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.886 -178.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 57' ' ' ALA . 62.1 t -91.96 -52.86 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.119 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 52' ' ' ILE . 37.4 m-20 -37.43 96.35 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.976 0.417 . . . . 0.0 110.776 -179.528 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -87.36 6.64 32.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.571 179.41 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 59' ' ' GLY . 35.3 p-10 -128.58 17.9 6.35 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.6 39.91 0.04 OUTLIER Glycine 0 N--CA 1.469 0.864 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.759 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 43.5 p-10 -84.87 -29.03 25.59 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.617 0.246 . . . . 0.0 110.65 -179.336 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 90.92 2.4 71.82 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.462 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 22.6 p -137.59 156.89 47.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.709 0.29 . . . . 0.0 110.358 179.743 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.618 HD11 ' CD1' ' A' ' 52' ' ' ILE . 71.7 mt -103.61 128.05 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.044 -179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 97.0 mt-10 -101.63 162.24 13.05 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.32 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -42.23 -51.05 4.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 0.0 110.863 -179.356 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -61.48 -37.41 83.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.178 0.513 . . . . 0.0 110.085 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.491 ' HB2' ' H ' ' A' ' 64' ' ' GLU . 77.2 mt-10 -74.51 -42.06 59.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.669 179.286 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 24.2 t80 -59.8 -44.52 93.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.8 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 73' ' ' ALA . 1.4 tt -60.31 -45.86 91.92 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.305 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.4 t -56.09 -41.89 75.87 Favored 'General case' 0 C--O 1.255 1.356 0 CA-C-O 122.101 0.953 . . . . 0.0 110.535 179.612 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.568 ' O ' HD13 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -57.73 -49.98 74.74 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.187 -179.434 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.0 mmt -85.39 -10.75 55.84 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.536 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -58.26 -31.67 67.64 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.47 -6.73 7.93 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.043 178.785 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt 68.16 -110.75 0.11 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.715 0.634 . . . . 0.0 111.04 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.598 HG13 ' N ' ' A' ' 77' ' ' LYS . 5.6 p -134.64 -53.25 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.598 ' N ' HG13 ' A' ' 76' ' ' VAL . 62.1 tttm 174.35 144.56 0.05 Allowed 'General case' 0 CA--C 1.517 -0.29 0 O-C-N 123.677 0.611 . . . . 0.0 109.823 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' A' ' 77' ' ' LYS . 91.4 m-20 -18.45 -73.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.067 0.854 . . . . 0.0 111.242 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.538 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 2.1 m -162.67 -139.15 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 177.866 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.538 ' CG ' ' O ' ' A' ' 79' ' ' THR . 35.5 m-20 127.49 116.32 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 O-C-N 125.754 1.909 . . . . 0.0 111.094 179.219 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.32 -54.09 6.9 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.193 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -53.9 -25.2 19.03 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.205 -179.456 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -79.71 -62.57 1.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.868 179.848 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 98.5 mt-10 -65.99 -36.32 82.99 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.669 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.925 HD21 HG22 ' A' ' 142' ' ' VAL . 13.2 tp -67.18 -40.33 86.56 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.145 -179.322 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -81.98 -48.31 11.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.244 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.657 ' O ' HG23 ' A' ' 91' ' ' VAL . 81.0 mm-40 -60.13 -30.98 69.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.273 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' GLU . . . -69.07 -59.1 3.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.202 179.285 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 1.1 t80 -59.1 -31.07 68.59 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.07 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -65.47 -36.92 85.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -178.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 87' ' ' GLU . 99.2 t -75.74 -57.98 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.119 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -55.84 -43.94 77.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 11.9 t0 -84.53 65.24 8.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.062 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -44.84 -55.88 5.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.605 -178.946 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -76.85 0.95 18.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 -178.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.426 ' OE1' ' CE1' ' A' ' 89' ' ' PHE . 12.9 mm100 48.11 23.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.457 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -53.76 -11.83 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.594 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.427 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.88 -9.62 55.26 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 1.8 m-85 -138.32 145.29 41.0 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 120.62 0.248 . . . . 0.0 110.374 -179.662 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -89.14 116.38 30.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 p -84.97 152.12 23.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.166 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.21 81.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.78 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.2 m -59.39 -42.88 92.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.79 0.328 . . . . 0.0 110.638 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -65.9 -54.0 32.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.469 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.31 -24.64 65.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.412 179.82 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.454 ' O ' HG22 ' A' ' 110' ' ' ILE . 76.8 ttt180 -80.68 -41.87 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.926 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -55.31 -52.2 64.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.495 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 109' ' ' MET . 6.5 t -62.34 -62.64 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 120.199 -0.6 . . . . 0.0 110.033 179.43 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.463 ' CE ' ' OG ' ' B' ' 26' ' ' SER . 0.6 OUTLIER -32.16 -74.8 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.125 0.488 . . . . 0.0 111.179 -179.182 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.644 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.3 tt -52.28 -47.85 44.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.076 -178.804 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.644 ' N ' HG23 ' A' ' 110' ' ' ILE . 2.6 m120 -50.83 -12.86 0.12 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.755 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.554 HD11 ' NH1' ' B' ' 33' ' ' ARG . 7.4 mp -106.77 82.26 1.68 Allowed 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 18.23 60.1 0.01 OUTLIER Glycine 0 N--CA 1.471 0.967 0 O-C-N 124.329 1.018 . . . . 0.0 111.997 179.071 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -145.93 120.71 9.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.245 0.545 . . . . 0.0 110.601 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -95.68 93.34 7.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.534 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.447 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -110.11 140.14 44.51 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.361 -179.733 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.8 p -88.4 177.82 6.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.379 179.371 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 18.5 p-10 -65.57 -28.59 69.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 179.743 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.97 -53.62 14.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -53.38 -41.18 65.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.002 0.43 . . . . 0.0 110.308 -179.542 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 82.9 t -64.78 -43.94 96.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.237 0.541 . . . . 0.0 110.128 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.31 -22.04 64.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.424 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -75.13 -57.42 3.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.647 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.497 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 21.3 ptm -58.69 -45.06 90.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 -178.909 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.497 ' N ' ' CG ' ' A' ' 124' ' ' MET . 3.6 tp -64.63 -41.33 91.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.747 -178.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.457 ' N ' HG23 ' A' ' 125' ' ' ILE . 37.1 ttmt -63.63 -45.01 92.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.761 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -73.48 -47.54 40.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.686 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -61.89 -29.03 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.44 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 68.5 t0 -85.14 107.55 17.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.53 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 130' ' ' LEU . 3.9 mm? -64.17 -40.2 95.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.65 -179.624 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.46 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 23.5 m-20 -84.42 1.92 43.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.211 -179.572 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.02 31.35 0.46 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.7 p30 -84.93 -1.84 57.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.655 0.264 . . . . 0.0 110.519 -179.663 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.01 17.84 58.79 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -149.55 155.15 39.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.068 0.461 . . . . 0.0 110.421 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.0 t -125.88 125.78 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.455 179.224 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -91.15 158.08 16.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.361 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -51.2 -42.26 60.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.42 -46.75 85.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.438 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.46 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 96.5 mt-10 -65.86 -36.7 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.042 179.406 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -60.93 -47.83 84.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.34 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.925 HG22 HD21 ' A' ' 85' ' ' LEU . 64.0 t -59.68 -45.05 94.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.069 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -64.09 -31.25 72.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.632 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.418 ' O ' ' SD ' ' A' ' 144' ' ' MET . 8.1 tpt -74.72 -28.57 60.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.296 179.67 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 9.3 ttm -92.04 -26.75 18.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.147 -179.296 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 59.0 mtt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.7 -179.964 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -62.1 -39.8 93.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -67.7 -37.06 81.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.415 ' O ' ' OG ' ' B' ' 26' ' ' SER . 13.5 mmp_? -61.26 -43.49 98.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.196 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.686 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.3 m95 -64.19 -49.75 70.82 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.218 0.532 . . . . 0.0 110.247 179.823 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -65.15 -36.32 83.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.909 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 38.8 t -62.05 -42.62 99.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.185 179.413 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.575 ' O ' HG23 ' B' ' 30' ' ' VAL . 1.1 m -60.04 -43.76 95.11 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.316 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.01 -43.84 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.736 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.2 m -67.68 -43.78 79.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.478 -179.234 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 33' ' ' ARG . 77.8 mt -63.23 -42.18 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 26' ' ' SER . 25.1 t -58.85 -45.11 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.1 -179.762 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.514 ' HZ3' HG11 ' A' ' 76' ' ' VAL . 6.0 tptm -67.65 -40.75 84.54 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.936 -179.186 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -75.7 -23.85 56.2 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.118 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.554 ' NH1' HD11 ' A' ' 112' ' ' LEU . 75.7 ttt180 -60.63 -52.11 66.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.451 -179.506 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 19.57 51.47 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.068 0.855 . . . . 0.0 111.491 -179.575 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' B' ' 33' ' ' ARG . 47.7 ttm-85 -69.4 8.47 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.072 -178.378 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.494 ' H ' ' C ' ' B' ' 34' ' ' ALA . 78.3 mtm180 -126.38 5.12 6.95 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.607 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' B' ' 41' ' ' SER . 0.2 OUTLIER 57.8 66.46 1.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.194 0.521 . . . . 0.0 110.006 179.36 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 81.1 mtm-85 -58.16 -37.88 75.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.219 -179.546 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 24.2 ttt -60.95 -63.14 1.4 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.37 -43.45 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.703 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 38.3 t -59.7 -44.44 93.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.265 -179.426 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.513 ' O ' ' C ' ' B' ' 43' ' ' LEU . 15.5 t-20 -81.51 -14.71 56.62 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.251 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.513 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.798 0 O-C-N 124.159 0.912 . . . . 0.0 111.888 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.915 0.388 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.37 -25.65 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.395 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -57.9 -56.06 26.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.102 0.477 . . . . 0.0 109.726 179.637 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -46.91 -42.91 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.267 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.72 -42.6 95.45 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.479 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.0 t -60.36 -50.25 81.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.249 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.71 -49.06 78.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.112 0.482 . . . . 0.0 110.2 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -61.38 -44.33 97.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.943 179.131 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -61.04 -35.93 78.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.395 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -63.29 -50.26 70.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.172 179.757 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.33 -36.72 64.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.15 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.529 ' CE1' ' OD2' ' A' ' 20' ' ' ASP . 33.2 t80 -63.42 -46.41 86.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.721 179.001 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.45 -39.31 92.77 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.302 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.18 -51.68 65.39 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.721 -179.612 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -58.44 -34.07 70.42 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.072 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.529 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 46.4 m-20 -97.91 74.04 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -62.53 -19.86 64.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.551 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 23' ' ' GLY . 44.9 p30 -108.02 31.98 5.11 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.682 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.73 57.31 0.01 OUTLIER Glycine 0 N--CA 1.473 1.115 0 O-C-N 124.156 0.91 . . . . 0.0 111.643 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' ASP . 26.1 p-10 -86.37 -24.89 25.63 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.925 0.393 . . . . 0.0 110.418 -179.791 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.67 -24.27 10.42 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 3.7 m -134.27 168.33 19.07 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.392 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.1 mt -112.9 117.62 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.264 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -82.17 -172.88 4.21 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.572 -179.666 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 28' ' ' THR . 61.1 t -82.49 -44.95 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.518 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.56 -44.2 96.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.544 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 46.0 mt-10 -60.25 -47.38 86.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.313 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.776 HD22 HD11 ' A' ' 52' ' ' ILE . 4.2 tp -60.99 -40.02 91.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.19 95.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.236 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.2 m -56.74 -47.1 80.81 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.287 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.53 -44.09 92.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.195 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.74 ' CD1' HD11 ' A' ' 48' ' ' LEU . 86.6 mt -61.91 -42.72 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.42 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -53.7 -41.46 66.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.246 -179.579 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.7 t -90.58 21.41 4.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.63 179.279 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.45 -2.6 8.45 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 41' ' ' GLN . 8.9 p30 -178.19 -95.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.417 -179.712 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.538 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 3.4 pt20 -131.55 -110.4 0.25 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.974 -179.836 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.7 OUTLIER -162.36 93.4 1.27 Allowed Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.447 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -77.73 -171.07 1.08 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.553 2.169 . . . . 0.0 111.88 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.494 HG23 ' H ' ' A' ' 47' ' ' GLU . 4.4 t -87.69 147.08 25.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.545 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -66.23 -18.55 65.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -64.79 -45.34 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.814 -179.587 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.494 ' H ' HG23 ' A' ' 44' ' ' THR . 77.6 mm-40 -67.5 -21.24 65.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.622 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.74 HD11 ' CD1' ' A' ' 36' ' ' ILE . 4.0 mm? -77.67 -52.55 8.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.072 179.858 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -70.77 -27.08 63.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.327 -179.635 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -69.45 -55.28 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.706 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.5 -39.7 85.19 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.573 -179.606 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.776 HD11 HD22 ' A' ' 32' ' ' LEU . 6.1 mm -68.71 -20.95 25.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.601 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.7 t -85.88 -32.93 21.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -65.22 -43.28 92.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.714 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.4 t -80.77 -47.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.433 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 60.8 t0 -62.28 99.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.635 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.575 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -49.17 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.925 -179.597 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 59' ' ' GLY . 53.2 p-10 -67.53 17.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.559 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.575 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 21.83 61.53 0.02 OUTLIER Glycine 0 C--N 1.346 1.092 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.355 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 62' ' ' THR . 51.3 p30 -97.11 24.65 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.298 -179.048 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.77 14.68 7.78 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.74 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 40.7 p -140.89 152.43 45.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 110.429 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 52' ' ' ILE . 70.0 mt -115.62 133.08 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -99.02 157.75 16.13 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.327 179.438 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -44.11 -47.49 8.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.639 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.0 -37.08 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.051 0.453 . . . . 0.0 110.304 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -73.53 -43.2 60.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.759 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -61.7 -43.52 98.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.039 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 69' ' ' LEU . 2.6 tt -59.63 -48.66 80.79 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.806 -179.734 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.9 m -54.2 -41.57 68.77 Favored 'General case' 0 C--O 1.252 1.233 0 CA-C-O 122.077 0.942 . . . . 0.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.81 -47.59 85.67 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.546 -179.473 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.3 mmt -81.47 -17.34 49.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.296 179.533 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -56.15 -29.31 60.58 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.833 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 75' ' ' LYS . 99.0 mttt -64.01 -10.18 20.2 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.437 178.431 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.625 ' O ' ' N ' ' A' ' 77' ' ' LYS . 18.6 pttp 11.75 98.71 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 O-C-N 124.176 0.922 . . . . 0.0 110.972 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.707 HG13 ' H ' ' A' ' 77' ' ' LYS . 0.2 OUTLIER 0.1 -67.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 123.821 0.701 . . . . 0.0 111.095 -179.097 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.707 ' H ' HG13 ' A' ' 76' ' ' VAL . 83.0 tttt 103.02 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.213 1.571 . . . . 0.0 110.555 179.01 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 79' ' ' THR . 32.9 p-10 -174.07 -43.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.617 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.504 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 69.3 p 52.38 -129.25 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.474 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -75.04 151.31 38.73 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.469 0.652 . . . . 0.0 110.85 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.63 -53.27 23.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.36 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -54.52 -17.76 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -80.36 -57.54 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 179.372 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.517 ' HA ' ' HZ1' ' B' ' 31' ' ' LYS . 5.2 tm-20 -68.77 -36.98 79.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.105 0.478 . . . . 0.0 110.509 -179.828 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.15 -38.23 85.15 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.941 -179.383 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -83.89 -38.99 20.4 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 91' ' ' VAL . 54.5 tp10 -57.15 -44.71 83.7 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -179.709 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.77 -58.53 5.98 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.605 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.515 ' CE1' ' OD2' ' A' ' 93' ' ' ASP . 54.3 t80 -49.64 -41.99 43.92 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.492 179.714 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -62.06 -36.92 83.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 -179.491 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 87' ' ' GLU . 56.2 t -74.55 -56.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.782 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -59.89 -47.38 85.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.126 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.515 ' OD2' ' CE1' ' A' ' 89' ' ' PHE . 5.0 t0 -79.66 55.59 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.651 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -41.28 -61.79 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.348 -178.62 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -68.85 -1.77 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.595 -178.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 93' ' ' ASP . 88.5 mt-30 43.49 44.29 4.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.433 179.444 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 52.4 p-10 -82.37 -4.75 57.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.611 -179.617 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.08 -7.35 64.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.429 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 5.3 m-85 -139.34 144.92 38.45 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.807 0.303 . . . . 0.0 110.286 -179.763 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mt -95.4 119.06 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.122 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.8 t -91.93 150.34 21.08 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.676 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.39 -43.45 54.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.445 -179.749 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.6 t -58.78 -40.66 84.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.535 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -65.46 -51.72 58.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.222 0.534 . . . . 0.0 110.001 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.15 -25.31 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.318 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -80.87 -46.2 15.63 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -52.81 -51.09 62.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' A' ' 109' ' ' MET . 37.2 t -62.56 -62.43 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.925 179.589 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.489 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -30.01 -75.72 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.929 0.395 . . . . 0.0 110.483 -179.583 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.555 HG23 ' N ' ' A' ' 111' ' ' ASN . 8.7 tp -47.51 -44.12 9.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.611 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.555 ' N ' HG23 ' A' ' 110' ' ' ILE . 4.6 t-20 -49.66 -11.21 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.862 0.363 . . . . 0.0 110.526 -179.65 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' A' ' 110' ' ' ILE . 67.7 mt -98.68 7.62 45.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.662 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 79.62 21.87 65.6 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 110' ' ' ILE . 29.4 tp10 -103.58 127.31 51.02 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.942 0.401 . . . . 0.0 110.202 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -92.56 96.93 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.985 0.421 . . . . 0.0 111.129 -179.579 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.4 mt -121.07 129.44 53.34 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.765 179.211 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 76.6 p -77.01 167.67 21.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.513 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.12 -24.72 67.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.364 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -67.32 -49.82 62.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.291 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.435 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 11.9 tm-20 -62.86 -41.87 99.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.151 0.5 . . . . 0.0 110.54 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.8 t -63.32 -43.22 98.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.293 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -64.17 -32.76 74.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.303 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -64.31 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.869 -179.51 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 124' ' ' MET . 3.7 ppp? -56.53 -32.08 64.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.31 -44.25 94.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.368 -179.699 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -70.76 -24.01 62.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.614 -179.465 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -78.57 -52.44 8.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.522 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -57.44 -43.66 84.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.456 -179.618 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.73 107.95 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.268 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.42 -26.43 22.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.624 -179.828 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -88.72 -6.71 57.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.487 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.21 88.81 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 37.3 p30 -142.1 -21.82 0.7 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.638 0.256 . . . . 0.0 110.691 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 98.6 2.42 57.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -149.3 133.21 17.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.946 0.403 . . . . 0.0 110.565 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.2 t -83.32 124.31 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.46 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.95 159.91 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.587 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -50.84 -41.44 57.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.211 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.68 -51.32 70.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.018 0.437 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.21 -34.6 76.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.024 178.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -61.75 -49.22 77.28 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.299 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.28 -46.42 88.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.135 -179.415 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.73 -29.93 69.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.486 179.658 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.3 tpt -70.72 -29.34 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.441 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.607 ' O ' ' O ' ' A' ' 146' ' ' MET . 3.7 ttm -91.97 -15.84 27.4 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.228 -179.382 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.607 ' O ' ' O ' ' A' ' 145' ' ' MET . 1.9 mtt . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 121.657 0.742 . . . . 0.0 110.855 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -61.48 -34.05 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.606 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -63.92 -43.51 95.72 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.382 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.435 ' NH1' ' OE2' ' A' ' 120' ' ' GLU . 11.9 mmt85 -63.18 -44.81 94.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.797 0.332 . . . . 0.0 110.501 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.522 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 2.1 m95 -66.27 -46.42 77.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.211 179.43 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -66.81 -39.94 87.89 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.124 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.8 t -61.78 -42.54 99.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.247 179.446 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.527 ' O ' HG23 ' B' ' 30' ' ' VAL . 4.3 m -60.05 -44.04 94.97 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.29 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.81 -43.42 79.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.894 0.378 . . . . 0.0 110.597 179.684 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -65.88 -45.06 83.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.426 -179.25 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.6 -41.66 92.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.98 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 26' ' ' SER . 25.1 t -59.54 -44.25 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.1 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.517 ' HZ1' ' HA ' ' A' ' 84' ' ' GLU . 35.7 mmtt -64.8 -44.66 89.2 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.687 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -65.4 -34.11 77.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.93 179.348 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 33' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' B' ' 34' ' ' ALA . 78.7 ttt180 -57.83 -58.67 7.37 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.578 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.504 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 29.64 44.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.535 0.522 . . . . 0.0 111.036 -179.444 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.431 ' H ' ' HG2' ' B' ' 33' ' ' ARG . 38.5 ttm180 -60.02 -1.22 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.084 -179.301 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' B' ' 34' ' ' ALA . 49.1 mmm-85 -107.49 -4.71 18.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 -179.521 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 37' ' ' PHE . . . . . 0.475 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.4 OUTLIER 62.5 78.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.967 179.314 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -58.39 -37.73 75.88 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.421 -179.127 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 59.4 mmm -67.25 -60.06 2.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.128 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.6 -42.95 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.752 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 43.6 t -57.14 -44.92 83.84 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.298 -179.353 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.475 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 9.3 t-20 -78.89 -40.89 31.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.376 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.475 ' OXT' ' O ' ' B' ' 42' ' ' ASN . 5.8 tt . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.145 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.3 t0 54.34 64.75 1.71 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.49 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.02 -67.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.1 mt 55.54 106.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.351 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t -128.18 176.75 7.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.404 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 10' ' ' VAL . 95.4 mt-10 -51.2 -24.67 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.505 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.48 -27.98 64.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.063 0.459 . . . . 0.0 110.754 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -77.32 -55.25 5.56 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.568 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.5 mt -64.51 -32.59 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.188 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 6' ' ' GLU . 20.0 t -62.43 -50.56 79.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -53.94 -48.0 70.7 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.555 -0.458 . . . . 0.0 109.83 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.43 ' CZ ' ' O ' ' B' ' 32' ' ' ASN . 44.4 m-85 -66.84 -41.32 87.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.563 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -59.79 -43.78 94.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.222 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -60.23 -51.24 70.43 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.337 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.91 88.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.052 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 29.8 t80 -54.4 -49.51 69.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.076 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.85 -34.06 56.84 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.63 -43.35 93.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.166 0.508 . . . . 0.0 110.652 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.597 ' CE1' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -64.49 -37.85 88.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.499 179.723 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -96.05 81.47 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.439 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -54.68 -38.96 67.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.054 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.564 ' O ' ' C ' ' A' ' 23' ' ' GLY . 5.1 p30 -93.61 38.07 1.06 Allowed 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 4.41 68.86 0.01 OUTLIER Glycine 0 N--CA 1.466 0.668 0 O-C-N 123.729 0.643 . . . . 0.0 112.015 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 22' ' ' ASP . 75.1 m-20 -91.15 -23.31 20.3 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.59 -27.7 8.66 Favored Glycine 0 N--CA 1.465 0.613 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 m -135.46 130.85 35.38 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.05 0.452 . . . . 0.0 110.677 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.0 mt -76.26 136.25 25.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.571 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 29' ' ' VAL . 57.4 m -106.07 154.87 20.03 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.618 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.426 ' N ' HG22 ' A' ' 28' ' ' THR . 96.1 t -51.43 -44.51 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.085 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -58.84 -58.12 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.469 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 83.5 mt-10 -55.64 -41.66 73.9 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.597 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.9 tp -62.2 -40.52 96.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.061 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.5 96.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.3 m -58.76 -47.75 83.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.367 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.49 -46.02 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.598 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.509 ' CD1' HD11 ' A' ' 48' ' ' LEU . 92.1 mt -63.3 -43.98 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -59.42 -34.82 72.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.22 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 m -89.9 21.68 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.257 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -109.7 12.35 24.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 2.4 m-20 81.45 20.68 0.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 123.303 0.377 . . . . 0.0 110.632 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -157.31 153.61 27.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.28 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -141.05 77.86 20.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 0.0 110.692 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.86 156.88 59.56 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.931 2.421 . . . . 0.0 111.95 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 47' ' ' GLU . 9.3 t -63.84 141.21 58.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.732 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.672 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 1.6 pm0 -63.31 -22.93 67.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.419 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -56.39 -64.17 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.772 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' H ' HG23 ' A' ' 44' ' ' THR . 12.1 pt-20 -62.7 -31.79 72.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.367 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.509 HD11 ' CD1' ' A' ' 36' ' ' ILE . 6.2 tp -63.21 -47.54 82.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.597 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.05 -42.4 72.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.88 -42.34 85.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -62.15 -43.62 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.572 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.623 ' CD1' HD11 ' A' ' 63' ' ' ILE . 5.9 mm -65.15 -44.55 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.796 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.5 t -70.83 -23.14 62.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.649 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -63.7 -43.56 96.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.682 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.55 -49.75 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.608 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.5 104.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.775 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.561 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -48.68 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.416 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.529 ' O ' ' C ' ' A' ' 59' ' ' GLY . 41.9 p30 -64.29 10.57 0.06 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.874 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.561 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 19.96 59.98 0.01 OUTLIER Glycine 0 C--N 1.344 1.008 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.4 p-10 -76.03 -14.35 60.21 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.517 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.09 1.66 45.08 Favored Glycine 0 N--CA 1.463 0.437 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -139.93 146.31 39.04 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.945 0.403 . . . . 0.0 110.369 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.623 HD11 ' CD1' ' A' ' 52' ' ' ILE . 77.1 mt -95.36 121.62 46.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.532 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -84.65 159.54 20.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.088 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -47.85 -50.01 27.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -57.29 -38.29 73.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.849 0.357 . . . . 0.0 110.249 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -71.42 -45.74 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.584 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.36 -45.32 93.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.035 0.445 . . . . 0.0 110.279 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.45 ' C ' HD23 ' A' ' 69' ' ' LEU . 1.2 tt -57.72 -63.07 1.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.377 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.0 t -57.96 -41.2 82.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.74 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.0 tp -46.68 -57.01 5.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.819 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.9 mmm -79.44 -53.34 6.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.58 -39.46 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -71.68 -60.67 2.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.78 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 76' ' ' VAL . 63.1 mttp -72.73 107.81 5.38 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.658 ' O ' HG12 ' A' ' 76' ' ' VAL . 56.0 t -157.28 73.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.907 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -122.17 -99.17 0.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.469 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -176.38 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.413 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 0.4 OUTLIER 73.28 -8.56 1.3 Allowed 'General case' 0 CA--C 1.53 0.185 0 O-C-N 123.45 0.469 . . . . 0.0 110.409 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 79' ' ' THR . 73.2 m-20 -152.24 104.7 2.97 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 110.107 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.06 -55.28 11.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.037 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -52.33 -20.98 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.914 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -81.21 -51.89 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.722 ' N ' HH22 ' B' ' 38' ' ' ARG . 3.0 tm-20 -71.92 -39.22 69.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.816 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.9 -37.01 83.56 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.387 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -84.65 -43.89 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.06 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 91' ' ' VAL . 12.9 tm-20 -57.3 -45.74 83.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.082 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.97 -57.42 11.78 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.047 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -53.28 -40.71 64.91 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.47 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -58.07 -38.4 76.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 87' ' ' GLU . 88.2 t -73.78 -46.12 48.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.582 ' CE1' HG11 ' A' ' 108' ' ' VAL . 52.1 m-85 -63.46 -49.68 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.449 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' A' ' 96' ' ' GLN . 34.2 t0 -89.59 57.77 4.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.262 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -39.43 -56.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.228 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -66.14 -8.97 27.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 93' ' ' ASP . 27.6 mt-30 49.06 61.63 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.283 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.451 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 37.1 p-10 -103.45 -5.9 22.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.519 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 99' ' ' TYR . . . 96.8 -0.67 61.01 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 6.0 m-85 -141.05 146.01 36.6 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.722 0.296 . . . . 0.0 110.294 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 mt -95.23 113.91 30.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 p -85.4 145.6 27.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.278 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -48.51 -45.54 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.1 p -57.94 -43.68 86.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.9 0.381 . . . . 0.0 111.045 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.11 -43.88 90.6 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.117 0.484 . . . . 0.0 110.167 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.45 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 50.8 tp -73.23 -27.25 61.49 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 102' ' ' ALA . 53.8 ttp180 -63.02 -46.09 89.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.503 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.426 ' C ' ' N ' ' A' ' 109' ' ' MET . 27.6 t-80 -67.89 -56.99 7.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.003 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.582 HG11 ' CE1' ' A' ' 92' ' ' PHE . 77.6 t -48.76 -16.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.426 ' N ' ' C ' ' A' ' 107' ' ' HIS . 5.3 tpt -90.25 -78.48 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.869 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.494 ' C ' ' H ' ' A' ' 112' ' ' LEU . 17.4 tt -50.91 -36.94 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.257 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.449 ' N ' HG23 ' A' ' 110' ' ' ILE . 27.8 t-20 -52.04 -9.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.493 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.494 ' H ' ' C ' ' A' ' 110' ' ' ILE . 92.2 mt -104.81 7.46 34.54 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.75 59.91 1.94 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -149.09 120.68 8.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -97.69 99.64 11.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.376 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.629 ' N ' HD12 ' A' ' 116' ' ' LEU . 6.3 mp -89.32 171.18 9.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.241 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.508 ' H ' ' HB2' ' A' ' 120' ' ' GLU . 59.4 p -120.3 164.29 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.443 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 34.0 p-10 -48.8 -43.84 38.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.64 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.0 mt-10 -64.87 -45.07 87.55 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.804 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.508 ' HB2' ' H ' ' A' ' 117' ' ' THR . 97.3 mt-10 -65.73 -40.2 91.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.524 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.22 -42.33 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.362 0.601 . . . . 0.0 110.268 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 95.8 mt-10 -62.39 -60.25 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.401 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.29 -26.36 68.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.527 0.679 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.467 ' SD ' ' CD ' ' B' ' 22' ' ' ARG . 4.7 tpt -59.26 -52.03 67.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.778 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 126' ' ' LYS . 18.7 tt -93.42 -37.75 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 65.1 tttm -60.19 -28.72 68.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.961 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -68.95 -50.4 49.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.664 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.43 ' HB2' ' NE1' ' B' ' 23' ' ' TRP . . . -68.28 -40.02 81.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.173 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 64.5 t0 -63.84 104.52 0.7 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.492 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 52.3 mt -75.09 -28.04 60.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.741 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.441 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 13.9 m-20 -88.73 -1.67 58.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.381 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.23 27.66 24.46 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.532 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.7 p-10 -88.63 19.29 4.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.772 0.32 . . . . 0.0 110.397 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.0 16.57 57.6 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -147.72 152.84 38.46 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.121 0.486 . . . . 0.0 110.45 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.3 t -117.67 124.7 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.545 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.93 156.66 19.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.457 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.436 ' CE2' HG21 ' A' ' 142' ' ' VAL . 53.1 t80 -53.12 -40.22 64.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.265 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -58.42 -48.83 79.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 0.0 110.447 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 97.7 mt-10 -61.94 -37.26 84.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.461 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -61.81 -48.97 78.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.651 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.436 HG21 ' CE2' ' A' ' 138' ' ' TYR . 53.3 t -57.89 -46.4 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.314 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -63.65 -36.59 84.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.857 0.36 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.511 ' O ' HG22 ' A' ' 148' ' ' VAL . 27.3 ttt -66.93 -33.64 76.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.599 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -20.99 37.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.48 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.547 ' O ' HG23 ' A' ' 148' ' ' VAL . 19.8 mmt -83.72 -91.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.328 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.612 ' C ' HG23 ' A' ' 148' ' ' VAL . 9.0 m -62.67 -52.15 64.45 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.268 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.612 HG23 ' C ' ' A' ' 147' ' ' THR . 2.4 t 76.93 -26.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 O-C-N 123.437 0.461 . . . . 0.0 111.418 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' A' ' 147' ' ' THR . 78.8 mtp85 . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.441 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -68.86 -25.94 64.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.486 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -68.12 -54.02 21.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.579 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.467 ' CD ' ' SD ' ' A' ' 124' ' ' MET . 11.6 ptp180 -60.17 -39.45 86.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.81 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.45 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -56.59 -49.42 74.94 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 120.511 -0.476 . . . . 0.0 109.923 179.101 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -65.88 -36.63 83.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.789 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m -60.17 -42.41 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.931 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.535 ' O ' HG23 ' B' ' 30' ' ' VAL . 32.3 t -61.42 -43.56 98.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.02 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.43 -43.24 81.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.405 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.1 t -64.35 -45.05 89.48 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.481 ' CG2' HD22 ' A' ' 112' ' ' LEU . 71.0 mt -62.38 -41.33 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.909 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 26' ' ' SER . 19.3 t -59.42 -40.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -59.98 -43.35 95.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.046 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASN . . . . . 0.43 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 84.5 m-20 -65.28 -41.64 93.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.173 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' B' ' 34' ' ' ALA . 70.8 ttt180 -68.98 -45.16 71.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.477 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 35.31 74.37 0.07 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -67.69 -12.92 61.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.908 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.495 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 42.6 ttm180 -105.64 -8.07 18.13 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.158 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.495 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.8 OUTLIER 67.53 69.91 0.36 Allowed 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.055 0.455 . . . . 0.0 110.373 179.349 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.722 HH22 ' N ' ' A' ' 84' ' ' GLU . 62.5 mtp85 -52.91 -41.17 64.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.907 0.384 . . . . 0.0 110.515 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 8.3 tpt -65.99 -62.31 1.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.183 0.516 . . . . 0.0 111.38 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.92 -43.62 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.622 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 36.0 t -57.66 -42.24 83.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.21 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -64.19 -40.19 95.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.359 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.415 -179.854 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 16.3 p-10 -53.91 140.39 30.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.509 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.739 HG22 ' H ' ' A' ' 4' ' ' LEU . 21.5 mm 60.08 176.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.739 ' H ' HG22 ' A' ' 3' ' ' ILE . 2.1 pp -173.45 2.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.483 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 7' ' ' GLU . 3.5 m -84.59 143.51 29.23 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.517 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 10' ' ' VAL . 95.9 mt-10 -52.28 -8.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.656 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' A' ' 7' ' ' GLU . 16.2 mp0 -67.84 -45.11 75.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.599 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.536 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 15.6 pt20 -53.37 -49.21 67.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.536 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 37.7 mm -62.42 -41.95 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.806 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 6' ' ' GLU . 24.4 t -58.35 -48.33 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.071 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.571 ' CG ' HH12 ' B' ' 33' ' ' ARG . 89.9 m-20 -52.31 -52.66 51.79 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.19 0.519 . . . . 0.0 110.039 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -62.54 -39.54 93.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.329 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -58.92 -42.73 90.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.144 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -57.52 -51.73 68.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.371 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.78 -43.48 69.3 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.389 0.614 . . . . 0.0 110.406 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -60.33 -45.35 93.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.231 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.18 -39.85 58.81 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.55 -43.11 99.63 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.525 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 22.9 m-85 -67.03 -40.83 87.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.732 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.472 ' OD2' ' O ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -89.78 74.29 7.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.898 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 15.8 pttp -58.65 -40.56 83.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.433 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.544 ' O ' ' C ' ' A' ' 23' ' ' GLY . 2.4 p30 -92.65 33.32 1.14 Allowed 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 17.43 66.67 0.01 OUTLIER Glycine 0 N--CA 1.465 0.621 0 O-C-N 123.344 0.402 . . . . 0.0 112.228 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 53.9 m-20 -92.32 -29.87 16.13 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.65 11.15 20.04 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.472 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 23.5 p -167.09 171.95 10.52 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.906 0.384 . . . . 0.0 110.53 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.1 mt -117.24 123.01 71.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.968 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.622 ' HA ' HG22 ' A' ' 62' ' ' THR . 0.2 OUTLIER -98.39 -167.64 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.018 0.437 . . . . 0.0 110.797 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.487 ' H ' HG22 ' A' ' 28' ' ' THR . 47.6 t -84.07 -45.63 18.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.583 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.54 -41.19 96.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.224 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 80.9 mt-10 -65.57 -49.34 69.21 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.064 0.459 . . . . 0.0 110.216 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 52' ' ' ILE . 5.9 tp -60.97 -38.83 87.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.969 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.14 94.25 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.122 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -56.87 -48.87 77.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.312 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.434 ' O ' ' OG ' ' A' ' 38' ' ' SER . 91.4 t -61.78 -45.57 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.383 . . . . 0.0 110.453 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.3 -44.28 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.748 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 82.0 mtp180 -62.42 -37.77 87.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.767 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.66 ' C ' ' H ' ' A' ' 40' ' ' ASP . 78.6 p -66.33 -30.58 71.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.359 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.55 14.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.802 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.66 ' H ' ' C ' ' A' ' 38' ' ' SER . 1.4 m-20 70.59 44.11 0.7 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 13.7 tp60 -146.85 158.17 43.85 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.717 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -136.56 71.41 58.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.902 0.382 . . . . 0.0 110.05 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -78.51 154.21 27.43 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.766 2.311 . . . . 0.0 112.516 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.561 HG22 ' H ' ' A' ' 46' ' ' GLU . 89.5 m -68.28 135.58 52.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.518 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -54.99 -39.6 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.496 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.561 ' H ' HG22 ' A' ' 44' ' ' THR . 71.8 mm-40 -48.95 -41.4 33.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.828 0.347 . . . . 0.0 110.335 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.38 -32.61 74.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 48' ' ' LEU . 10.3 mp -72.61 -44.44 61.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.787 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.81 -36.59 83.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.412 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.48 -49.53 66.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.636 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.2 ttp -65.88 -43.04 89.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.648 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.77 HD11 HD22 ' A' ' 32' ' ' LEU . 12.4 mm -66.22 -43.23 91.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.38 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -68.01 -35.4 78.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.879 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.91 -40.17 75.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.936 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.522 ' O ' HG12 ' A' ' 55' ' ' VAL . 62.0 t -93.7 -5.98 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.216 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 44.8 t0 -77.79 98.11 5.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.57 2.07 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 26.5 p30 -129.02 12.8 6.2 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.785 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 41.37 47.57 4.59 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 62' ' ' THR . 41.2 p-10 -108.68 12.56 25.73 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 43.75 17.59 0.06 OUTLIER Glycine 0 N--CA 1.461 0.353 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.622 HG22 ' HA ' ' A' ' 28' ' ' THR . 10.8 p -137.53 138.65 39.85 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 111.094 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.68 HD11 HD13 ' A' ' 52' ' ' ILE . 83.0 mt -97.21 124.12 49.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.625 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -86.57 168.1 13.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.339 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -53.32 -47.29 69.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.486 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -59.38 -39.35 83.04 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 120.946 0.403 . . . . 0.0 110.397 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -73.28 -47.25 44.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.567 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -57.51 -44.65 85.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.001 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.8 tt -58.17 -57.59 12.17 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.998 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.1 m -60.17 -41.7 93.4 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.2 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.8 tt -49.14 -57.99 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.635 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mmt -69.84 -42.84 73.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.179 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.99 90.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.675 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -74.71 -61.19 1.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -77.81 124.25 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.028 0.442 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 77' ' ' LYS . 11.1 t -141.65 -123.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.321 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.518 ' N ' HG12 ' A' ' 76' ' ' VAL . 31.8 ttpt -33.61 146.83 0.02 OUTLIER 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.191 0.307 . . . . 0.0 110.577 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.499 ' O ' ' OG1' ' A' ' 79' ' ' THR . 96.2 m-20 -130.07 22.13 5.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.455 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.508 ' H ' ' HG2' ' A' ' 77' ' ' LYS . 16.9 p 60.05 66.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.332 0.395 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -151.62 107.49 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.56 -55.28 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -53.1 -23.2 7.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.45 ' OE2' ' ND2' ' B' ' 42' ' ' ASN . 45.3 tt0 -81.29 -53.5 6.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.071 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.491 ' CD ' ' NZ ' ' B' ' 31' ' ' LYS . 85.5 tt0 -71.48 -35.05 70.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.393 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.59 -41.22 88.85 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.447 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -84.18 -46.59 11.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.221 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 91' ' ' VAL . 84.0 tt0 -58.93 -42.29 89.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.069 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.13 -56.39 15.2 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.15 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -57.0 -41.2 78.03 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.29 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.82 -36.55 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.284 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 87' ' ' GLU . 90.5 t -74.09 -54.42 14.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.768 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 5.9 m-30 -55.71 -47.38 76.95 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 96' ' ' GLN . 37.8 t0 -85.48 62.46 7.49 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.261 0.35 . . . . 0.0 110.507 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -40.61 -59.2 1.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.83 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 19.9 p-10 -63.05 -3.98 2.02 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.564 ' N ' ' O ' ' A' ' 93' ' ' ASP . 8.3 pt20 35.72 59.02 0.87 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.665 0.603 . . . . 0.0 110.721 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -100.06 3.63 44.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.21 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.22 0.25 63.45 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.423 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 4.8 m-85 -143.24 148.5 36.52 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.804 0.335 . . . . 0.0 110.402 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.5 mt -97.56 115.31 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.115 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 p -87.07 153.89 21.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.389 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.46 -44.55 89.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.719 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.3 t -61.56 -45.36 94.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -59.98 -53.06 62.25 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.175 0.512 . . . . 0.0 110.401 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.77 -20.61 65.9 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.347 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.48 ' O ' HG22 ' A' ' 110' ' ' ILE . 61.7 ttp180 -82.14 -44.0 17.04 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.579 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 4.0 m80 -54.33 -51.97 63.03 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 109' ' ' MET . 15.4 t -62.4 -63.94 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.951 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 108' ' ' VAL . 6.7 tpt -31.37 -75.59 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.737 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.516 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.668 HG23 ' N ' ' A' ' 111' ' ' ASN . 19.7 tt -47.19 -50.62 6.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.629 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.668 ' N ' HG23 ' A' ' 110' ' ' ILE . 91.2 m-20 -47.15 -8.7 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.007 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' A' ' 110' ' ' ILE . 90.4 mt -91.61 11.98 22.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 91.99 -46.3 2.68 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -53.35 124.05 13.64 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.993 0.425 . . . . 0.0 110.297 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -98.83 103.04 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 110.468 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 mt -116.06 130.54 56.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.7 p -64.51 168.18 6.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.438 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 46.4 p-10 -66.7 -23.76 66.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.516 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.418 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.2 mt-10 -68.52 -48.43 64.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.706 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.9 -44.36 85.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.618 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.2 t -62.69 -47.87 90.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -62.86 -35.0 78.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.524 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -59.43 -54.14 50.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.618 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.49 ' C ' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -54.46 -39.73 67.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.691 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.44 ' N ' ' HG3' ' A' ' 124' ' ' MET . 2.4 mm -61.78 -41.42 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.387 -176.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -63.53 -33.56 75.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.146 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -75.93 -53.21 8.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.536 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -62.21 -37.54 85.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.398 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 56.9 t0 -74.97 105.55 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.08 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.526 ' N ' HD12 ' A' ' 130' ' ' LEU . 10.6 mp -66.34 -39.89 89.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.816 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 11.7 m-20 -86.36 1.58 50.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.376 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 49.4 34.76 19.72 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.528 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 15.1 p-10 -96.7 20.41 10.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.745 0.307 . . . . 0.0 110.327 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.519 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 59.84 19.89 51.26 Favored Glycine 0 C--N 1.332 0.313 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -145.15 145.62 31.44 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.909 0.385 . . . . 0.0 110.466 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.3 t -123.54 126.33 72.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.684 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.416 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 11.5 t-20 -88.11 158.61 18.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.628 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -51.9 -41.92 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.233 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -60.37 -49.79 76.2 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.948 0.404 . . . . 0.0 110.393 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 93.2 mt-10 -60.71 -38.63 85.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.41 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -60.88 -47.32 86.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.733 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.9 t -57.88 -47.02 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.347 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -65.16 -36.52 84.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 111.08 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.429 ' C ' ' SD ' ' A' ' 144' ' ' MET . 1.0 OUTLIER -69.28 -35.25 75.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.538 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.7 ttm -75.96 -24.22 55.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.85 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.734 ' O ' HG23 ' A' ' 148' ' ' VAL . 81.8 mmm -89.36 -151.58 0.23 Allowed 'General case' 0 C--O 1.203 -1.354 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.903 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.68 ' O ' ' HB ' ' A' ' 148' ' ' VAL . 2.8 m -2.98 -59.87 0.0 OUTLIER 'General case' 0 CA--C 1.496 -1.115 0 O-C-N 124.168 0.918 . . . . 0.0 112.085 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 146' ' ' MET . 77.7 t 97.64 1.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.351 0.671 0 O-C-N 125.335 1.647 . . . . 0.0 109.633 178.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.617 ' HG2' HG22 ' A' ' 147' ' ' THR . 37.6 ptt-85 . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.675 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.0 ptt-85 -63.26 -36.15 82.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -65.14 -44.71 87.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.556 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -60.54 -42.98 97.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.288 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.536 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 1.5 m95 -62.27 -50.32 72.16 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.194 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -65.95 -35.02 79.45 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.058 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.0 t -61.23 -44.56 97.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.046 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.451 ' O ' HG23 ' B' ' 30' ' ' VAL . 61.7 m -59.26 -45.2 91.85 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.306 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -68.4 -42.74 84.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -61.08 -42.03 97.74 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.666 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.4 ' CG2' HD22 ' A' ' 112' ' ' LEU . 72.7 mt -61.66 -42.09 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.192 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 34' ' ' ALA . 55.5 t -58.52 -42.55 84.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.787 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.491 ' NZ ' ' CD ' ' A' ' 84' ' ' GLU . 23.8 mttp -60.12 -45.59 92.48 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.158 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -70.01 -32.84 71.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.131 0.491 . . . . 0.0 110.063 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.571 HH12 ' CG ' ' A' ' 11' ' ' ASP . 34.7 ttm-85 -101.8 16.12 26.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.564 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 30' ' ' VAL . . . -36.38 91.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.999 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' B' ' 33' ' ' ARG . 58.4 ttp180 -74.09 -16.12 61.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.167 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.484 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 53.7 ttm-85 -94.49 -4.31 48.37 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.062 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.484 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.2 OUTLIER 61.28 67.73 0.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.291 0.567 . . . . 0.0 110.23 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 21.9 mtp-105 -52.94 -42.31 65.3 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.534 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.0 tpt -64.63 -62.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.424 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 97.4 mt -62.92 -43.89 99.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.697 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 93.2 p -57.13 -46.07 82.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.111 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.45 ' ND2' ' OE2' ' A' ' 83' ' ' GLU . 99.1 m-20 -65.56 -41.15 93.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 110.656 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.453 HD23 ' C ' ' B' ' 43' ' ' LEU . 1.8 tt . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.388 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.4 t0 46.36 82.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.659 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.8 mm -50.19 155.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.5 mt -143.31 45.97 1.52 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.829 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.487 ' C ' ' H ' ' A' ' 7' ' ' GLU . 34.1 t -73.24 139.75 46.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.613 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.586 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 49.0 mp0 -50.42 -9.78 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.704 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 5' ' ' SER . 73.2 mm-40 -69.72 -49.85 49.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.706 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.513 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 1.7 pt20 -49.86 -45.92 50.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.015 0.436 . . . . 0.0 110.028 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.513 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 36.6 mm -65.32 -43.15 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.274 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 6' ' ' GLU . 18.3 t -57.87 -47.01 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -57.25 -53.84 53.54 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.159 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -59.5 -43.49 93.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.905 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.74 -39.93 93.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.457 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -58.19 -51.54 69.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.317 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.43 82.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.386 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.79 -49.54 77.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.407 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.71 -34.52 70.73 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.558 ' O ' HD23 ' A' ' 18' ' ' LEU . 5.6 tt -62.95 -52.21 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.221 0.534 . . . . 0.0 110.713 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.464 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 6.9 m-85 -55.14 -32.82 62.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.46 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -102.98 81.95 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' A' ' 21' ' ' LYS . 5.3 mtmp? -62.44 -17.06 58.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.274 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 24' ' ' ASP . 45.3 p-10 -114.02 33.05 5.46 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.639 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.78 53.54 0.01 OUTLIER Glycine 0 N--CA 1.475 1.296 0 O-C-N 124.278 0.986 . . . . 0.0 111.582 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 52.3 p-10 -76.5 -28.06 56.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.391 . . . . 0.0 110.471 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 110.53 8.19 25.1 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.1 p -162.91 166.31 24.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.822 0.344 . . . . 0.0 110.382 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 mt -112.48 114.36 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.961 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.56 ' HA ' HG22 ' A' ' 62' ' ' THR . 26.1 m -91.87 151.95 20.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.89 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 t -50.64 -44.88 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.737 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.82 -51.89 65.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.52 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -55.45 -43.36 75.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.178 0.513 . . . . 0.0 109.86 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD22 HD11 ' A' ' 52' ' ' ILE . 5.9 tp -63.61 -35.54 80.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.275 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.53 87.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.0 m -59.24 -46.11 89.37 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.233 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.4 t -60.15 -46.01 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 40' ' ' ASP . 82.8 mt -60.45 -41.7 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.82 0.343 . . . . 0.0 110.218 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.529 ' O ' ' O ' ' A' ' 40' ' ' ASP . 71.9 ttp85 -57.94 -35.97 71.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.232 0.539 . . . . 0.0 109.808 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 p -66.44 -38.51 87.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.28 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 pp -103.9 6.75 36.62 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.06 0.457 . . . . 0.0 111.106 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ILE . 14.9 t70 -163.56 174.56 11.64 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 121.18 0.514 . . . . 0.0 110.732 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.92 -94.35 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.602 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 43' ' ' PRO . 9.7 p30 -178.43 83.4 0.22 Allowed Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 42' ' ' ASN . 53.2 Cg_exo -54.41 -153.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.741 2.294 . . . . 0.0 111.802 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.5 t -107.98 145.02 34.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.291 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -58.38 -19.08 32.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.726 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -65.39 -47.34 76.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' H ' HG23 ' A' ' 44' ' ' THR . 1.6 mp0 -67.01 -28.5 68.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.047 0.451 . . . . 0.0 110.624 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.3 mt -78.76 -53.62 6.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -66.19 -28.83 69.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.228 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -68.29 -53.58 23.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.5 mtp -57.25 -46.49 82.98 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.779 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.529 HG13 HD11 ' A' ' 63' ' ' ILE . 1.5 mp -69.01 -30.64 47.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 t -72.11 -44.08 63.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 123.426 0.454 . . . . 0.0 110.996 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -58.56 -38.33 77.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 t -112.51 50.96 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -105.64 108.34 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . . . -88.29 -16.92 31.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.242 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' OD2' ' OE2' ' A' ' 67' ' ' GLU . 4.2 m-20 -120.61 16.4 11.99 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.628 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.74 34.95 0.05 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.467 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 42.7 p-10 -101.77 11.06 39.37 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-O 120.53 0.205 . . . . 0.0 110.706 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.98 20.01 47.26 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 28' ' ' THR . 66.1 p -137.17 158.11 45.17 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.548 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.529 HD11 HG13 ' A' ' 52' ' ' ILE . 71.4 mt -105.8 129.73 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.216 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' GLU . 42.8 tt0 -95.5 156.09 16.47 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.182 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -42.49 -49.89 5.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 110.685 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -62.02 -36.2 80.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.852 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' OE2' ' HB3' ' A' ' 57' ' ' ALA . 95.4 mt-10 -72.54 -44.77 61.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.398 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.27 -42.7 99.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.797 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.476 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -59.96 -58.49 8.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.545 -179.14 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 36.3 t -63.35 -39.98 96.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.15 0.5 . . . . 0.0 110.47 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tt -56.46 -43.62 79.74 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.747 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -61.32 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.303 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -51.55 -47.89 63.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.181 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 70' ' ' SER . 51.2 tttm -65.55 9.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.725 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 73' ' ' ALA . 52.4 mtmt -147.84 52.66 1.04 Allowed 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.992 -0.443 . . . . 0.0 110.718 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 78' ' ' ASP . 39.1 t -138.58 -70.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.482 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 76' ' ' VAL . 16.2 pttt 31.0 -90.93 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 O-C-N 124.002 0.814 . . . . 0.0 110.418 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -127.84 -50.02 1.35 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.881 179.656 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.7 m 68.93 -62.17 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.37 0.419 . . . . 0.0 110.548 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -173.03 141.78 1.0 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.53 -54.29 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.775 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -56.94 -20.61 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.11 0.481 . . . . 0.0 110.485 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -81.51 -53.44 6.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.148 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -71.43 -36.19 71.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.109 0.481 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.88 -37.29 78.94 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.128 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -82.85 -40.73 19.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.087 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 91' ' ' VAL . 49.6 tp10 -62.3 -40.81 97.52 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.216 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -66.16 -58.09 6.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.03 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -54.3 -41.49 69.0 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.253 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -58.46 -35.71 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.491 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 87' ' ' GLU . 64.4 t -74.88 -51.66 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.937 0.399 . . . . 0.0 111.011 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 5.9 m-85 -59.21 -46.92 87.17 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.214 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 96' ' ' GLN . 35.7 t0 -84.83 63.22 7.91 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.172 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -42.38 -58.56 2.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.843 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -66.83 -2.57 5.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.968 0.413 . . . . 0.0 110.937 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 93' ' ' ASP . 33.8 mt-30 42.17 42.24 2.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.65 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 41.0 p-10 -80.1 -2.24 43.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.736 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.5 -3.36 65.8 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.414 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 2.8 m-85 -139.74 146.22 39.27 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.5 mt -95.29 116.86 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.8 p -87.11 153.34 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.248 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.58 -44.99 81.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 68.7 m -59.47 -42.72 92.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.715 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.19 -50.85 64.34 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.095 0.474 . . . . 0.0 110.35 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.483 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 48.6 tp -67.78 -25.89 65.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.351 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.512 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.5 ttm180 -78.41 -45.39 22.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.248 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 103' ' ' SER . 42.3 m-70 -55.33 -49.25 72.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.811 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.571 ' O ' ' N ' ' A' ' 112' ' ' LEU . 48.7 t -61.76 -63.9 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.968 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -33.34 -75.39 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.56 0.538 . . . . 0.0 111.105 -179.482 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.616 HG23 ' N ' ' A' ' 111' ' ' ASN . 19.8 tt -49.79 -47.74 22.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.521 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.616 ' N ' HG23 ' A' ' 110' ' ' ILE . 58.2 t30 -65.75 -13.69 59.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.248 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' A' ' 108' ' ' VAL . 14.1 tp -84.08 -123.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.336 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -129.27 40.25 1.72 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -161.3 122.2 2.79 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -96.28 102.62 14.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.454 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.6 mt -106.51 129.3 54.49 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.178 0.513 . . . . 0.0 110.441 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.0 p -66.03 174.13 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.347 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.54 -33.25 75.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.48 -46.93 68.39 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.657 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.8 -43.88 97.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.103 0.478 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.512 HG11 ' HE ' ' A' ' 106' ' ' ARG . 76.5 t -64.29 -45.4 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.159 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 126' ' ' LYS . 37.3 tp10 -62.83 -23.11 67.12 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.203 0.525 . . . . 0.0 110.086 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -74.45 -57.21 4.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.457 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 19.9 ttp -55.92 -48.81 75.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.297 -178.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 126' ' ' LYS . 9.7 tp -60.23 -41.54 87.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.117 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.45 ' N ' HG23 ' A' ' 125' ' ' ILE . 24.1 mmtp -65.32 -40.28 93.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -72.0 -47.48 51.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.488 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -62.39 -36.08 81.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.468 ' OD2' ' OD1' ' A' ' 133' ' ' ASP . 52.8 t0 -75.9 104.3 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.52 ' CD1' ' HZ1' ' A' ' 143' ' ' LYS . 95.4 mt -72.79 -32.37 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.011 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 5.5 p30 -97.26 -0.86 45.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.691 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 50.8 32.79 26.48 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.468 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 36.6 p-10 -70.84 -13.44 62.04 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.526 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.74 -1.26 52.38 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -152.72 132.73 13.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.2 t -79.92 126.69 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.158 0.504 . . . . 0.0 110.413 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 2.3 m-20 -88.82 155.09 19.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.387 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -50.96 -41.5 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.231 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.04 -48.61 79.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.929 0.395 . . . . 0.0 110.328 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.78 -37.45 87.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.063 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.87 -48.14 82.91 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.103 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.35 -47.19 88.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.004 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.52 ' HZ1' ' CD1' ' A' ' 130' ' ' LEU . 7.8 mtpm? -64.42 -30.68 71.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.273 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.488 ' O ' ' SD ' ' A' ' 144' ' ' MET . 1.4 tmt? -71.9 -26.81 62.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.483 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 146' ' ' MET . 0.7 OUTLIER -87.37 -19.67 27.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.641 -179.459 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 145' ' ' MET . 14.4 mtt -50.54 -153.64 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.402 0.62 . . . . 0.0 110.883 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.525 HG23 ' N ' ' A' ' 148' ' ' VAL . 15.4 t -71.19 -42.21 69.3 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.89 -0.506 . . . . 0.0 111.217 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.525 ' N ' HG23 ' A' ' 147' ' ' THR . 53.2 t 49.15 100.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.279 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.488 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -61.3 -42.53 98.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.468 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -63.59 -38.88 92.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.542 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -61.87 -46.02 91.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.488 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 5.0 m95 -64.47 -47.31 79.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.977 0.418 . . . . 0.0 109.92 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -64.31 -38.39 90.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.785 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.9 t -61.07 -44.8 96.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.134 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.594 ' O ' HG23 ' B' ' 30' ' ' VAL . 60.3 p -59.34 -44.19 92.67 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.436 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.97 -44.33 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.726 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.3 m -66.16 -40.51 90.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.348 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.43 -41.95 93.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.05 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 26' ' ' SER . 42.4 t -60.06 -46.62 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.713 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.71 -27.18 63.78 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.818 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -80.34 -33.03 37.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.392 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.469 ' NH1' ' C ' ' A' ' 112' ' ' LEU . 76.9 mtp180 -85.13 -49.63 8.09 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.23 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' B' ' 36' ' ' ARG . . . 36.2 56.46 1.04 Allowed 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 120.81 0.338 . . . . 0.0 110.8 -179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -53.09 -12.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.25 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.428 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 90.4 mtm-85 -108.9 -7.79 15.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.72 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.464 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 64.35 51.23 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.259 179.567 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.539 ' O ' ' ND2' ' B' ' 42' ' ' ASN . 18.9 ptt180 -39.06 -33.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.478 ' O ' ' N ' ' B' ' 43' ' ' LEU . 5.1 ttp -72.36 -64.68 0.9 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.46 -42.72 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.372 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -56.99 -43.21 81.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.235 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' B' ' 38' ' ' ARG . 77.7 m-20 -93.77 -4.12 50.87 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.752 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.594 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -112.25 46.8 1.13 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.0 mt -78.03 -50.33 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.9 mt -81.89 -107.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.316 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 7' ' ' GLU . 2.6 m -143.69 140.63 30.13 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.0 mt-10 -41.3 -25.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.788 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 8' ' ' GLN . 11.6 pt-20 -62.2 -49.84 74.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.407 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.531 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 15.4 mm100 -51.12 -52.83 39.98 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -59.36 -42.62 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.448 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 6' ' ' GLU . 29.2 t -59.33 -50.65 79.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.098 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -53.89 -48.31 70.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -65.95 -43.32 88.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -56.71 -43.07 80.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.652 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.89 -50.45 68.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.683 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.38 -42.57 67.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.14 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -59.15 -47.09 86.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.216 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.98 -39.39 56.89 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.74 -43.03 94.69 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -68.79 -43.07 76.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.373 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 40.2 t0 -88.08 75.92 8.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.751 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.51 -42.27 82.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.917 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' GLY . 48.2 p-10 -90.59 36.73 0.9 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.783 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.26 65.49 0.01 OUTLIER Glycine 0 C--N 1.345 1.034 0 O-C-N 124.277 0.985 . . . . 0.0 112.174 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 52.6 p-10 -93.99 -21.8 18.95 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 114.64 -27.47 8.78 Favored Glycine 0 N--CA 1.467 0.718 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.6 m -136.92 131.57 33.25 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.3 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.1 mt -75.45 133.44 31.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -99.59 152.99 19.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.7 t -49.86 -44.68 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.971 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -60.12 -55.19 36.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.283 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -51.87 -40.87 61.32 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.35 -41.4 98.86 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.497 0.665 . . . . 0.0 110.169 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.0 96.28 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.079 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.2 m -57.61 -44.47 85.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.013 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.55 -47.02 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.513 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.402 ' CD1' HD12 ' A' ' 32' ' ' LEU . 72.6 mt -64.65 -44.4 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -62.14 -39.27 92.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.659 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.57 ' C ' ' H ' ' A' ' 40' ' ' ASP . 53.0 p -69.17 -29.43 67.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.427 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.62 18.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.77 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.57 ' H ' ' C ' ' A' ' 38' ' ' SER . 3.9 m-20 70.11 62.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.988 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -165.86 162.12 18.16 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.746 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -144.71 62.97 10.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.826 0.346 . . . . 0.0 110.397 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -75.54 157.46 40.52 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 123.065 2.51 . . . . 0.0 111.934 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 47' ' ' GLU . 15.0 t -69.63 138.89 53.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.744 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' A' ' 48' ' ' LEU . 72.1 tt0 -56.39 -44.06 79.86 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.429 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -39.75 -45.22 1.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.799 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.518 ' H ' HG23 ' A' ' 44' ' ' THR . 96.1 mt-10 -68.42 -31.41 70.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.739 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 45' ' ' GLU . 48.6 mt -76.32 -46.13 29.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -64.68 -37.27 87.0 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.787 0.327 . . . . 0.0 110.72 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 54' ' ' GLU . 30.3 t70 -70.33 -52.24 24.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.2 ttp -57.56 -41.45 81.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.868 0.366 . . . . 0.0 110.695 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.422 HD13 HD11 ' A' ' 63' ' ' ILE . 9.0 mm -64.0 -41.89 93.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.3 m -87.38 -13.07 44.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.402 0.439 . . . . 0.0 110.764 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' ASP . 84.5 tt0 -57.91 -43.35 86.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.693 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.626 HG21 HD21 ' A' ' 71' ' ' LEU . 47.1 t -95.23 -38.39 8.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 20.6 t70 -39.58 106.34 0.05 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.207 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.17 6.31 33.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.726 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.9 p30 -129.14 14.22 6.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.181 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.489 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 32.74 40.38 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.519 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 12.1 m120 -78.99 -33.63 44.86 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.83 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.03 -5.91 58.07 Favored Glycine 0 N--CA 1.468 0.813 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.6 p -137.22 138.26 39.96 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.655 0.264 . . . . 0.0 110.357 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.422 HD11 HD13 ' A' ' 52' ' ' ILE . 82.2 mt -87.3 124.28 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.748 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -85.62 162.27 18.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.096 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -49.74 -48.06 50.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.434 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.36 -38.34 83.54 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.895 0.378 . . . . 0.0 110.212 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' OE2' ' OD2' ' A' ' 58' ' ' ASP . 96.8 mt-10 -72.46 -46.59 54.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -57.87 -44.74 86.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.933 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 69' ' ' LEU . 3.2 tt -58.21 -54.65 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.173 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -59.0 -41.64 88.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.186 0.517 . . . . 0.0 110.318 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.626 HD21 HG21 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -51.24 -58.34 6.43 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.318 -178.647 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -41.52 70.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.728 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.41 78.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.867 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -70.8 -60.07 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.305 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 76' ' ' VAL . 27.9 mtmt -76.4 111.02 11.41 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 78' ' ' ASP . 23.8 t -155.91 -67.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.846 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' VAL . 65.1 tttm 33.45 -90.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.735 0.647 . . . . 0.0 110.99 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 80' ' ' ASP . 20.0 t0 -163.58 -19.13 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.523 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.517 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 4.7 p 63.12 -66.48 0.09 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.266 0.354 . . . . 0.0 110.595 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 78' ' ' ASP . 51.3 m-20 -162.17 142.37 10.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.669 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.66 -57.55 9.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -51.85 -20.91 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.05 0.452 . . . . 0.0 111.035 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -81.97 -54.2 5.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.39 -38.28 81.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.021 0.439 . . . . 0.0 110.646 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.82 -36.69 80.82 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.181 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -83.06 -45.21 14.29 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.302 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 91' ' ' VAL . 67.9 mm-40 -59.79 -39.83 86.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.204 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -58.85 4.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 33.2 t80 -54.97 -38.88 68.36 Favored 'General case' 0 CA--C 1.527 0.096 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -60.88 -39.05 87.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.255 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 87' ' ' GLU . 70.2 t -74.01 -53.52 17.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.522 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -60.19 -48.5 81.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.927 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 96' ' ' GLN . 7.7 t0 -79.34 56.11 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -39.97 -60.65 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.613 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 6.3 p-10 -66.47 -6.59 15.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.091 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 93' ' ' ASP . 70.9 mt-30 46.12 57.96 4.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.475 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -96.64 -1.75 46.11 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.412 ' O ' ' OD1' ' A' ' 137' ' ' ASN . . . 91.63 3.23 69.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -144.06 148.63 35.43 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 122.681 -0.305 . . . . 0.0 110.392 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.3 mt -97.81 116.75 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 m -88.56 147.56 24.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.327 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.01 -45.42 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.9 t -59.9 -41.71 92.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.993 0.425 . . . . 0.0 110.547 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -63.72 -53.94 43.21 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.105 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.561 HD22 ' CH2' ' B' ' 23' ' ' TRP . 51.1 tp -67.6 -22.83 65.34 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.764 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.509 ' O ' HG22 ' A' ' 110' ' ' ILE . 62.9 ttp180 -83.38 -39.98 19.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.63 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -59.01 -47.07 86.54 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 109' ' ' MET . 61.7 t -63.43 -61.91 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.13 0 N-CA-C 109.128 -0.694 . . . . 0.0 109.128 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.9 OUTLIER -32.17 -74.92 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.388 0.43 . . . . 0.0 110.746 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.622 HG23 ' N ' ' A' ' 111' ' ' ASN . 15.1 tt -47.23 -49.35 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.713 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.622 ' N ' HG23 ' A' ' 110' ' ' ILE . 7.7 m120 -57.88 -10.39 1.72 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.323 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.6 mp -110.37 6.99 22.73 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.733 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.63 68.33 1.34 Allowed Glycine 0 CA--C 1.52 0.357 0 N-CA-C 111.324 -0.711 . . . . 0.0 111.324 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.447 ' CD ' ' SD ' ' A' ' 109' ' ' MET . 1.7 mt-10 -167.81 107.85 0.56 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.768 0.318 . . . . 0.0 110.398 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -101.58 100.55 10.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.971 0.415 . . . . 0.0 110.634 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.553 ' N ' HD12 ' A' ' 116' ' ' LEU . 10.4 mp -94.37 135.56 35.65 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.8 p -76.38 165.29 25.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.463 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -46.8 -53.51 11.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.637 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' ' 119' ' ' GLU . 56.8 mp0 -58.81 -41.42 86.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.836 0.351 . . . . 0.0 110.443 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -65.46 -40.05 92.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.708 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.07 -42.46 93.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.07 0.462 . . . . 0.0 110.087 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 82.3 tt0 -61.94 -60.7 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.423 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.67 -28.02 68.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.402 0.62 . . . . 0.0 110.528 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.4 tpt -60.73 -52.51 64.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.995 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.5 tt -91.27 -34.22 6.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.177 0.513 . . . . 0.0 111.274 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 87.6 tttt -63.1 -22.9 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.029 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -72.3 -52.73 14.95 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.308 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.489 ' HB2' ' NE1' ' B' ' 23' ' ' TRP . . . -58.05 -37.26 74.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.179 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.452 ' OD1' ' OE1' ' A' ' 140' ' ' GLU . 11.5 m-20 -81.83 104.24 12.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 130' ' ' LEU . 10.3 mp -64.62 -41.72 96.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.153 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -89.54 -3.64 58.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.366 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . 78.43 -144.31 28.0 Favored Glycine 0 CA--C 1.495 -1.206 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 132' ' ' GLY . 13.0 m-20 94.8 1.88 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 O-C-N 125.013 1.067 . . . . 0.0 111.045 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.57 16.49 29.71 Favored Glycine 0 C--N 1.331 0.283 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.41 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 23.4 mt-30 -143.59 137.53 28.43 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.094 0.473 . . . . 0.0 110.511 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.6 t -109.64 122.04 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.643 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 98' ' ' GLY . 58.9 t30 -84.57 157.54 21.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.533 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -48.49 -45.41 36.86 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.322 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.98 -45.63 94.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.139 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.452 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 96.1 mt-10 -64.18 -38.2 90.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.164 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -62.43 -48.05 81.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 146' ' ' MET . 53.8 t -58.41 -46.05 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.362 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.26 -36.47 82.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.815 0.341 . . . . 0.0 111.026 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.48 ' O ' ' SD ' ' A' ' 144' ' ' MET . 6.5 tpt -68.91 -38.12 79.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.239 0.542 . . . . 0.0 111.266 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.621 ' O ' ' N ' ' A' ' 147' ' ' THR . 94.2 mmm -88.1 -27.11 22.14 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.096 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 142' ' ' VAL . 0.7 OUTLIER -31.13 83.54 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 O-C-N 124.171 0.919 . . . . 0.0 111.259 -179.463 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.621 ' N ' ' O ' ' A' ' 145' ' ' MET . 10.8 m 40.09 71.78 0.17 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.584 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 148' ' ' VAL . 19.2 t -36.11 89.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 O-C-N 123.45 0.469 . . . . 0.0 110.793 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 147' ' ' THR . 7.3 ptm180 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.21 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -63.7 -40.6 97.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -68.59 -38.63 80.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.474 -179.787 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.52 ' N ' ' OE1' ' B' ' 21' ' ' GLN . 15.7 tpp180 -61.06 -44.24 97.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.383 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.561 ' CH2' HD22 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -62.62 -49.02 76.85 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.139 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -65.94 -38.25 88.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.778 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 68.6 m -59.46 -43.05 93.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.822 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.57 ' O ' HG23 ' B' ' 30' ' ' VAL . 7.1 p -61.19 -48.16 82.82 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.465 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.8 -37.28 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.042 0.449 . . . . 0.0 110.244 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.443 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 39.5 t -63.56 -42.78 98.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.153 0.501 . . . . 0.0 110.345 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.69 -27.39 35.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.487 -0.485 . . . . 0.0 109.868 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 26' ' ' SER . 43.7 t -69.26 -44.3 80.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.513 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' B' ' 28' ' ' SER . 27.0 pttt -63.22 -36.93 85.28 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.1 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASN . . . . . 0.403 ' N ' ' HG2' ' B' ' 31' ' ' LYS . 86.5 m-20 -77.67 -33.68 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.846 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' B' ' 34' ' ' ALA . 72.7 ttt-85 -72.19 -46.66 55.38 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.846 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 23.81 79.81 0.02 OUTLIER 'General case' 0 C--N 1.347 0.476 0 O-C-N 123.996 0.81 . . . . 0.0 111.291 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.435 HH11 HH22 ' B' ' 33' ' ' ARG . 49.1 ttp180 -77.45 -10.94 59.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.052 -178.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.487 ' O ' ' OG ' ' B' ' 41' ' ' SER . 22.5 mtp180 -107.53 -1.36 21.4 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.454 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.2 OUTLIER 59.96 67.35 0.87 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.226 0.536 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -55.93 -36.14 67.41 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.434 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 63.1 mmm -66.45 -62.28 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.406 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 81.3 mt -62.82 -43.63 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.785 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' B' ' 36' ' ' ARG . 69.9 m -55.18 -43.76 74.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.24 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -64.15 -40.31 95.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.351 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.406 ' OXT' ' O ' ' B' ' 40' ' ' ILE . 44.3 mt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.248 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' A' ' 3' ' ' ILE . 29.2 p-10 -79.38 -110.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.47 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.698 ' O ' HG22 ' A' ' 3' ' ' ILE . 65.7 mt -126.88 35.24 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 110.655 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' C ' HD12 ' A' ' 4' ' ' LEU . 1.6 pp -168.28 43.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.435 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 p -70.79 165.74 22.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.46 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 10' ' ' VAL . 97.2 mt-10 -58.31 -37.08 74.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.445 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -50.7 -60.5 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.441 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 83.2 mm-40 -46.07 -36.2 5.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.042 0.448 . . . . 0.0 110.559 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.9 mt -77.75 -33.27 18.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.537 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 6' ' ' GLU . 47.0 t -65.08 -50.63 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.369 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -66.58 -42.0 87.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 110.05 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -63.03 -42.27 99.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.574 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -64.65 -33.8 76.78 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.259 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.24 -47.21 85.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.8 -36.79 84.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.142 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.51 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 35.9 t80 -59.87 -49.53 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.88 -33.12 82.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt -65.62 -49.19 69.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.941 0.4 . . . . 0.0 110.879 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CE1' HG11 ' A' ' 35' ' ' VAL . 4.0 m-85 -65.07 -32.82 74.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.42 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.51 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 58.6 m-20 -94.09 86.43 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.58 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -67.12 -37.16 83.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.785 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.2 OUTLIER -103.01 28.31 6.35 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.118 -178.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 25.95 51.88 0.06 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.625 ' C ' ' H ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -78.68 36.49 0.26 Allowed 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.401 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 23' ' ' GLY . . . 57.98 -6.28 0.04 OUTLIER Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.625 ' H ' ' C ' ' A' ' 24' ' ' ASP . 2.6 p -166.26 173.74 9.83 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.9 mt -103.86 116.2 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.896 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -89.22 154.75 19.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.674 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.8 t -45.69 -47.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.403 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.32 -53.82 53.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.757 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 95.0 mt-10 -50.6 -46.1 57.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.044 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.01 -42.47 99.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.55 -50.84 70.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.651 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -56.69 -47.37 80.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.43 HG11 ' CE1' ' A' ' 19' ' ' PHE . 71.8 t -61.33 -43.4 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.623 ' O ' ' N ' ' A' ' 40' ' ' ASP . 74.7 mt -60.88 -42.12 91.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.106 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.574 ' O ' ' O ' ' A' ' 40' ' ' ASP . 61.4 ttp180 -59.96 -34.53 73.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.146 0.498 . . . . 0.0 109.936 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.1 p -72.93 -43.34 62.48 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.094 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 39' ' ' LEU . 5.8 tt -93.73 4.04 54.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.431 0.634 . . . . 0.0 110.686 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.623 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.9 t70 -159.17 170.31 22.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.216 0.531 . . . . 0.0 110.594 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.82 -90.23 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.101 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -174.55 100.13 0.28 Allowed Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.317 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -78.99 -155.43 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.771 2.314 . . . . 0.0 111.275 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 46' ' ' GLU . 1.8 m -108.31 149.48 28.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.64 -44.02 97.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.98 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' N ' HG22 ' A' ' 44' ' ' THR . 80.7 mm-40 -64.91 -31.83 73.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.83 0.348 . . . . 0.0 110.655 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.42 -37.16 84.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.318 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.0 mt -74.45 -57.79 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.625 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -51.87 -26.72 10.69 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.06 0.457 . . . . 0.0 110.691 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -79.18 -46.89 17.02 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.11 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.478 ' SD ' ' OXT' ' B' ' 43' ' ' LEU . 9.3 ttt -66.02 -21.91 66.42 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.313 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 54' ' ' GLU . 5.1 mm -76.77 -72.01 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.9 t -48.95 -10.05 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.83 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 52' ' ' ILE . 42.9 tt0 -69.63 -38.78 77.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.006 0.431 . . . . 0.0 110.92 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.8 p -117.12 -11.22 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.059 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 67.0 t0 -93.72 101.03 13.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.358 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -43.8 -71.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.118 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.562 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.5 p30 -69.97 12.86 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.353 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 1.91 68.79 0.0 OUTLIER Glycine 0 N--CA 1.473 1.136 0 O-C-N 124.079 0.862 . . . . 0.0 111.929 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.547 HD21 ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -98.15 22.63 9.23 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.216 -0.492 . . . . 0.0 110.149 -179.38 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.68 13.36 58.77 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.467 ' OG1' ' OD1' ' A' ' 60' ' ' ASN . 15.2 p -138.61 155.26 48.47 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.563 -0.374 . . . . 0.0 110.469 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.3 mt -126.53 132.62 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.741 0.305 . . . . 0.0 110.218 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.463 ' HG3' ' H ' ' A' ' 67' ' ' GLU . 12.3 pt-20 -108.88 169.69 8.52 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.366 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -53.57 -42.66 67.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.494 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.5 -38.23 86.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.056 0.455 . . . . 0.0 110.328 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 96.6 mt-10 -76.54 -40.21 50.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.702 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -61.57 -44.87 96.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.925 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.3 tt -62.46 -46.43 88.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.927 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.7 m -61.39 -41.64 97.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.3 -50.66 73.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 75' ' ' LYS . 38.4 mmt -71.74 -38.51 70.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.75 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.89 -33.77 51.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.433 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -73.59 -45.47 52.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.741 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 72' ' ' MET . 62.0 mttp -79.64 141.99 35.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.177 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.447 ' O ' ' HB2' ' A' ' 77' ' ' LYS . 46.9 t 68.5 118.09 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 O-C-N 124.191 0.932 . . . . 0.0 110.139 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 76' ' ' VAL . 32.2 ttpt 162.4 -75.77 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.009 0.818 . . . . 0.0 110.474 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 66.7 t0 -116.0 42.19 2.41 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.108 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -62.27 -84.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.502 ' N ' ' OG1' ' A' ' 79' ' ' THR . 0.1 OUTLIER 179.8 153.09 0.47 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 121.018 0.437 . . . . 0.0 110.177 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.14 -54.64 16.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.844 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -58.23 -23.73 56.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.141 0.496 . . . . 0.0 110.894 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' OE1' ' OG1' ' A' ' 79' ' ' THR . 83.2 mt-10 -76.76 -54.63 6.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.13 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -71.86 -32.24 67.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.945 0.403 . . . . 0.0 110.59 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.7 mt -66.38 -38.07 86.69 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.11 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -85.37 -42.07 14.89 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.268 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -58.75 -39.16 80.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.819 0.342 . . . . 0.0 110.195 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -57.23 7.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 36.6 t80 -51.65 -29.25 17.13 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.408 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -71.13 -36.71 72.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.9 t -76.06 -51.85 19.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.836 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -63.88 -46.77 83.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.537 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.469 ' OD1' ' OD1' ' A' ' 97' ' ' ASN . 21.5 t0 -89.28 66.35 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -44.79 -55.58 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.305 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -75.27 0.91 15.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.942 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 42.49 27.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.469 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 27.6 p-10 -63.36 -10.35 16.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.658 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.18 -15.87 50.36 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -129.88 133.39 46.86 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.5 mt -84.37 115.62 26.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.8 p -83.07 150.59 26.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.533 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.96 -44.58 70.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.607 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.6 p -55.04 -41.02 70.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.614 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.71 -45.7 81.76 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.251 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.3 tp -68.37 -31.36 70.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.345 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -61.25 -44.75 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' C ' ' N ' ' A' ' 109' ' ' MET . 62.9 m170 -68.0 -55.2 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.268 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.5 t -49.49 -18.73 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.364 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 107' ' ' HIS . 3.2 tpt -87.5 -76.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.692 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.3 tt -48.27 -34.96 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.461 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.434 ' N ' HG23 ' A' ' 110' ' ' ILE . 95.2 m-20 -51.03 -25.33 4.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.126 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 mt -89.6 1.19 56.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.14 -9.96 69.88 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 14.0 mp0 -82.39 106.53 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.813 0.339 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -89.43 104.25 16.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.82 0.343 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.82 128.55 53.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.351 0.596 . . . . 0.0 110.621 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 p -65.03 172.38 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.02 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.54 -31.29 72.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -67.43 -46.41 73.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -64.82 -40.6 95.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.678 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.19 -44.38 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.208 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.85 -31.33 72.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.041 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -68.28 -57.56 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.822 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.485 ' HE3' ' CD1' ' B' ' 23' ' ' TRP . 24.9 ttt -51.02 -57.94 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 111.065 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 129' ' ' ASP . 9.6 tp -53.17 -36.94 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.47 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.4 ' N ' HG23 ' A' ' 125' ' ' ILE . 88.1 tttt -67.57 -38.28 83.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -79.24 -16.82 55.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.665 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -101.96 -28.28 12.48 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.358 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 66.5 t0 -82.61 105.83 13.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.111 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 130' ' ' LEU . 10.9 mp -64.98 -42.83 94.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.971 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.458 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 5.4 m-20 -83.17 0.95 42.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.395 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 48.57 32.57 10.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.544 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 20.0 p-10 -92.34 15.05 14.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.725 0.298 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 68.38 23.9 75.02 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -150.85 159.28 44.65 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.309 0.576 . . . . 0.0 110.392 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.7 t -129.27 126.93 64.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.279 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -92.32 162.0 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.439 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -52.17 -41.83 62.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.023 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.96 -49.53 77.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.35 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.458 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 94.4 mt-10 -62.05 -39.95 94.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.322 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.57 -46.68 88.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.297 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.59 -47.22 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.028 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 147' ' ' THR . 53.3 mtmt -61.36 -35.26 76.96 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.3 mmm -66.43 -23.88 66.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.609 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.3 tpt -90.54 -21.14 21.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.46 ' O ' ' OG1' ' A' ' 147' ' ' THR . 3.4 ptm -141.52 54.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 110.398 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' ' 143' ' ' LYS . 0.2 OUTLIER -172.03 -52.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.495 179.321 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 149' ' ' ARG . 21.5 t 68.0 -96.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 O-C-N 123.636 0.585 . . . . 0.0 110.636 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 148' ' ' VAL . 16.1 ptm180 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.114 -0.946 . . . . 0.0 111.298 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.428 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -57.99 -35.7 71.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.405 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -64.22 -43.7 94.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.303 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.428 ' HE ' ' HA ' ' B' ' 19' ' ' ALA . 83.0 mtm180 -60.49 -38.89 85.78 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.397 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.665 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.4 m95 -62.32 -49.95 73.56 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.646 -0.422 . . . . 0.0 109.958 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -68.49 -37.29 79.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.843 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.493 ' OG ' HD11 ' B' ' 29' ' ' ILE . 6.7 t -63.15 -43.17 99.06 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.037 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.474 ' O ' HG23 ' B' ' 30' ' ' VAL . 37.8 t -60.1 -45.15 93.94 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.101 -0.639 . . . . 0.0 110.507 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.6 t -69.25 -44.51 80.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.782 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m -68.34 -42.84 78.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.398 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' B' ' 33' ' ' ARG . 71.9 mt -62.25 -42.12 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 26' ' ' SER . 21.8 t -59.78 -44.87 94.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.379 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -82.63 -17.11 45.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.925 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -99.66 -11.4 20.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.177 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' B' ' 35' ' ' ARG . 60.4 ttt85 -104.94 -44.86 4.7 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.479 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.549 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 54.1 -75.59 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.119 0 O-C-N 123.291 0.369 . . . . 0.0 110.721 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' B' ' 33' ' ' ARG . 67.3 ttt180 68.72 -37.54 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.391 0.432 . . . . 0.0 110.392 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.549 ' H ' ' C ' ' B' ' 34' ' ' ALA . 83.9 mtp180 -92.8 -7.81 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.481 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.6 m-85 68.44 54.69 0.53 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 110.533 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -50.6 -32.5 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.905 0.383 . . . . 0.0 110.01 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.444 ' SD ' ' N ' ' B' ' 39' ' ' MET . 2.4 mpt? -66.13 -67.92 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.852 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.14 -42.67 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.369 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' B' ' 36' ' ' ARG . 49.3 m -53.61 -46.74 70.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -65.03 -40.85 95.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.575 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.478 ' OXT' ' SD ' ' A' ' 51' ' ' MET . 51.2 mt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.366 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.582 ' O ' ' N ' ' A' ' 4' ' ' LEU . 39.8 p-10 -83.26 11.3 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 88.3 mt 58.51 -70.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 O-C-N 123.548 0.53 . . . . 0.0 110.576 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 2' ' ' ASP . 63.5 mt -46.71 160.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.479 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 p -156.28 153.11 28.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 10' ' ' VAL . 46.4 mt-10 -51.38 -41.5 60.72 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.952 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.7 mp0 -62.59 -52.25 64.14 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -49.63 -48.1 49.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mm -62.58 -43.31 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 6' ' ' GLU . 30.8 t -61.16 -51.29 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.349 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -57.07 -51.98 67.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -60.69 -42.77 97.8 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.045 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -61.15 -36.28 79.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.257 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.531 ' OE2' ' NH2' ' B' ' 35' ' ' ARG . 72.6 tt0 -63.28 -50.63 69.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.016 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.19 -38.15 68.0 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.999 0.428 . . . . 0.0 109.998 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 38.1 t80 -61.29 -46.58 89.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.034 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.62 -37.86 78.49 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.12 -51.99 65.68 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.776 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CD1' HD12 ' A' ' 32' ' ' LEU . 25.1 m-85 -53.15 -33.1 51.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.577 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 81.7 m-20 -99.59 76.51 2.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.595 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HG3' ' H ' ' A' ' 21' ' ' LYS . 29.4 mtmt -51.69 -26.19 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.131 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 23' ' ' GLY . 45.3 p30 -107.99 36.74 2.67 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.679 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.87 63.5 0.01 OUTLIER Glycine 0 N--CA 1.471 0.97 0 O-C-N 123.832 0.708 . . . . 0.0 112.166 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 47.3 p-10 -86.44 -26.73 24.55 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 111.79 9.7 20.33 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.466 ' SG ' ' OD2' ' A' ' 24' ' ' ASP . 30.1 p -160.57 163.93 32.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.824 0.345 . . . . 0.0 110.361 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.1 mt -117.06 123.15 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.014 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 m -106.25 152.47 23.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.826 0.346 . . . . 0.0 110.802 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.1 t -48.91 -40.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.373 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.77 -54.59 40.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.336 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -60.54 -45.11 95.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.055 0.455 . . . . 0.0 110.25 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD12 ' CD1' ' A' ' 19' ' ' PHE . 6.6 tp -65.07 -38.53 91.06 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.407 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.39 92.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.928 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -58.01 -43.52 86.74 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.01 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -64.74 -45.44 95.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.333 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.73 -44.56 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.642 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -62.86 -36.48 83.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.472 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.3 m -84.77 18.65 2.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.179 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -114.62 17.65 17.12 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.333 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 12.0 t0 87.8 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.215 0.947 . . . . 0.0 110.496 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -86.9 146.14 26.29 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.953 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.4 p30 -141.22 67.63 26.33 Favored Pre-proline 0 N--CA 1.466 0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.188 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.03 154.16 42.15 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.679 2.252 . . . . 0.0 112.166 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.5 t -58.79 149.35 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.682 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -67.03 -30.21 70.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.545 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -55.62 -46.0 77.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.356 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' H ' HG23 ' A' ' 44' ' ' THR . 1.3 tm-20 -58.96 -59.16 5.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.312 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' H ' ' HG ' ' A' ' 48' ' ' LEU . 64.9 mt -48.81 -43.47 38.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.04 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -60.41 -46.61 89.4 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.768 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.65 -48.69 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 29.7 ttp -63.21 -45.32 92.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.527 HD13 HD11 ' A' ' 63' ' ' ILE . 8.1 mm -65.95 -41.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.273 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.7 p -71.64 -35.57 70.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.48 -38.16 68.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.74 HG21 HD13 ' A' ' 71' ' ' LEU . 61.4 t -87.35 -51.13 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -57.29 94.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.733 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.624 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.99 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.528 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 59' ' ' GLY . 33.6 p-10 -62.35 11.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.667 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.624 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 32.0 64.16 0.24 Allowed Glycine 0 C--N 1.338 0.657 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 62' ' ' THR . 33.6 p30 -101.39 29.19 4.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.762 0.315 . . . . 0.0 110.158 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 44.09 17.07 0.06 OUTLIER Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.716 -0.953 . . . . 0.0 110.716 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 60' ' ' ASN . 17.7 p -139.5 140.98 37.36 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.1 0.476 . . . . 0.0 110.573 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.527 HD11 HD13 ' A' ' 52' ' ' ILE . 72.1 mt -107.56 128.26 62.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -90.32 161.65 15.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.314 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -48.47 -48.3 37.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.342 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.54 -39.13 79.32 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -74.06 -39.96 63.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.1 -46.77 87.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.556 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.7 tt -61.78 -48.69 79.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.217 -178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.0 p -64.1 -43.02 96.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.577 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.74 HD13 HG21 ' A' ' 55' ' ' VAL . 40.4 tp -58.2 -48.33 80.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.8 tpt -71.8 -37.63 70.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.49 69.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.867 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -60.55 -64.67 0.87 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.477 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.583 ' O ' ' C ' ' A' ' 76' ' ' VAL . 28.3 tptp -44.87 -84.54 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.583 ' C ' ' O ' ' A' ' 75' ' ' LYS . 61.1 t -11.21 117.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 123.917 0.761 . . . . 0.0 110.903 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -173.98 -106.7 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.211 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 65.9 t0 -175.37 35.79 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.853 0.359 . . . . 0.0 110.199 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.0 p -63.43 -65.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.18 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.87 116.14 28.58 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.119 0.485 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.99 -52.99 9.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.428 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -55.1 -14.67 1.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -84.71 -58.61 2.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -66.03 -34.27 77.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.324 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 142' ' ' VAL . 3.2 tp -71.88 -35.95 69.92 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.05 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -83.71 -46.11 12.64 Favored 'General case' 0 C--N 1.338 0.068 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.532 ' O ' HG23 ' A' ' 91' ' ' VAL . 92.2 mt-10 -58.67 -41.68 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.898 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.42 -57.77 9.21 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.875 0.369 . . . . 0.0 110.169 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.02 -38.49 73.21 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.243 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.94 -37.78 80.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.28 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 87' ' ' GLU . 94.7 t -76.58 -48.82 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 110.693 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -58.88 -47.63 84.27 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.098 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 96' ' ' GLN . 38.9 t0 -88.74 61.37 5.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.274 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -38.52 -59.56 0.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.784 0.326 . . . . 0.0 111.407 -178.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 56.1 p30 -62.72 -10.72 13.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.571 ' N ' ' O ' ' A' ' 93' ' ' ASP . 52.1 mt-30 43.77 67.03 0.71 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.424 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -108.23 0.67 21.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.465 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.83 -1.2 63.27 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -140.05 145.19 37.4 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.516 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.7 mt -96.43 116.09 37.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 120.883 0.373 . . . . 0.0 110.209 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 m -85.75 147.13 26.47 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.187 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -43.83 68.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.783 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -60.26 -43.85 95.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.717 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 92.6 mt-10 -65.24 -51.05 63.33 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.16 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.431 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 48.2 tp -66.82 -22.91 65.99 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.79 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.558 ' O ' HG22 ' A' ' 110' ' ' ILE . 61.3 ttp180 -82.53 -41.39 19.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -56.85 -50.72 71.57 Favored 'General case' 0 CA--C 1.52 -0.178 0 O-C-N 123.765 0.666 . . . . 0.0 109.559 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.507 ' O ' ' C ' ' A' ' 109' ' ' MET . 46.0 t -62.53 -64.24 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.828 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.507 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.1 tpt -30.41 -74.34 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.977 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.639 HG23 ' N ' ' A' ' 111' ' ' ASN . 7.1 tp -47.18 -50.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.657 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.639 ' N ' HG23 ' A' ' 110' ' ' ILE . 21.4 t-20 -51.25 -9.3 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.392 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.617 ' CD2' ' HE ' ' B' ' 33' ' ' ARG . 85.3 mt -110.27 81.98 1.52 Allowed 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.712 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 12.72 61.69 0.01 OUTLIER Glycine 0 N--CA 1.471 1.025 0 O-C-N 123.689 0.618 . . . . 0.0 112.084 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.598 ' O ' HD12 ' A' ' 110' ' ' ILE . 60.0 mt-10 -144.78 120.81 10.72 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.044 0.45 . . . . 0.0 110.22 -178.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -100.63 88.46 3.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.291 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 65.8 mt -118.61 128.41 54.51 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.058 0.456 . . . . 0.0 110.908 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.7 p -68.18 167.78 13.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.414 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 122' ' ' GLU . 42.1 t0 -62.42 -27.41 69.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.303 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -65.24 -51.59 59.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.653 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -59.27 -42.62 91.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.978 0.418 . . . . 0.0 110.539 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.01 -46.48 88.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.147 0.499 . . . . 0.0 110.771 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.419 ' OE2' ' OD2' ' A' ' 118' ' ' ASP . 90.7 mt-10 -60.76 -23.71 65.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.758 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -75.51 -59.23 2.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.615 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.412 ' SD ' ' CG ' ' B' ' 22' ' ' ARG . 12.4 ttp -46.7 -51.78 15.32 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.274 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.581 HG23 ' N ' ' A' ' 126' ' ' LYS . 19.8 tt -61.05 -45.35 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.581 ' N ' HG23 ' A' ' 125' ' ' ILE . 38.2 ttpt -61.84 -38.39 88.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.392 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -68.02 -47.12 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.474 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.31 -35.49 79.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.132 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 41.8 t0 -69.22 99.82 1.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.938 0.399 . . . . 0.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.0 mt -72.95 -42.32 63.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.271 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.517 ' O ' ' O ' ' A' ' 132' ' ' GLY . 19.5 p-10 -85.42 1.37 48.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.766 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 50.72 112.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 3.6 p30 -160.95 -20.9 0.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.526 -0.397 . . . . 0.0 110.465 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.8 6.42 49.51 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.52 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 8.3 mt-30 -147.24 156.27 42.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.922 0.391 . . . . 0.0 110.481 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.2 t -115.71 124.19 71.88 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.202 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.72 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -84.73 151.3 24.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.614 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.455 ' O ' HG23 ' A' ' 142' ' ' VAL . 72.6 t80 -51.57 -42.3 61.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.303 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -62.45 -49.19 76.42 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.944 0.402 . . . . 0.0 110.002 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.28 -37.97 85.08 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 55.1 t80 -64.28 -47.53 79.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.04 0.448 . . . . 0.0 110.418 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.839 HG22 HD21 ' A' ' 85' ' ' LEU . 79.6 t -59.8 -45.55 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -61.0 -36.0 78.32 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.335 0.397 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.6 ttt -72.52 -33.08 66.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.663 ' O ' ' N ' ' A' ' 147' ' ' THR . 6.2 mtp -75.48 -26.06 57.87 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.193 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.482 ' O ' ' HB ' ' A' ' 147' ' ' THR . 44.9 mmm -58.31 57.32 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.481 0 O-C-N 124.289 0.993 . . . . 0.0 111.202 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.663 ' N ' ' O ' ' A' ' 145' ' ' MET . 18.5 m 77.5 -96.28 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 123.621 0.575 . . . . 0.0 111.336 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.536 ' O ' HG12 ' A' ' 148' ' ' VAL . 16.2 t 53.24 36.02 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.295 0.569 . . . . 0.0 110.67 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.446 ' H ' HG22 ' A' ' 147' ' ' THR . 13.1 ptm180 . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 117.856 -1.069 . . . . 0.0 110.364 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -63.99 -37.95 89.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.656 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.15 -43.57 91.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.454 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.412 ' CG ' ' SD ' ' A' ' 124' ' ' MET . 18.6 tpp85 -62.56 -43.18 99.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.079 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.431 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 2.7 m95 -58.34 -44.85 88.92 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.54 ' NH2' ' O ' ' A' ' 147' ' ' THR . 96.0 mtt180 -65.39 -37.23 86.35 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.903 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 40.6 m -58.9 -45.81 89.39 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.185 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.56 ' O ' HG23 ' B' ' 30' ' ' VAL . 14.8 m -61.74 -43.83 98.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.273 0.558 . . . . 0.0 110.354 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.64 -40.36 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.476 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 70.3 m -61.32 -42.63 98.99 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.72 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.401 ' CD1' ' OE2' ' A' ' 114' ' ' GLU . 96.4 mt -68.29 -28.74 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.437 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 26' ' ' SER . 43.0 t -67.92 -44.51 85.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.619 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' B' ' 32' ' ' ASN . 28.9 pttt -64.97 -36.54 84.73 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.831 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' B' ' 31' ' ' LYS . 92.7 m-20 -71.5 -39.5 70.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.357 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.617 ' HE ' ' CD2' ' A' ' 112' ' ' LEU . 60.7 ttm-85 -64.16 -46.32 84.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.059 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 37.75 64.64 0.64 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.713 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.531 ' NH2' ' OE2' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -70.57 7.76 1.01 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.637 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.427 ' H ' ' C ' ' B' ' 34' ' ' ALA . 35.0 mmt180 -126.69 -1.06 6.74 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.489 0.493 . . . . 0.0 110.463 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.438 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 5.3 m-85 62.66 47.29 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.45 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -41.16 -33.77 0.39 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.894 0.378 . . . . 0.0 110.701 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.511 ' SD ' ' N ' ' B' ' 40' ' ' ILE . 1.8 tmt? -66.99 -70.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.681 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.511 ' N ' ' SD ' ' B' ' 39' ' ' MET . 85.3 mt -62.06 -43.25 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.307 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.6 p -54.06 -45.41 71.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.168 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.19 -41.18 97.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.368 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.31 -179.483 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 54.75 171.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.49 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.833 HG22 ' H ' ' A' ' 4' ' ' LEU . 23.2 mm 62.27 178.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.706 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.833 ' H ' HG22 ' A' ' 3' ' ' ILE . 79.8 mt -97.47 -104.74 0.18 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.853 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -148.99 145.01 27.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.689 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.594 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 43.5 mp0 -53.83 -24.72 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -61.23 -54.62 41.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 2.4 mp0 -49.81 -43.04 48.4 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.06 -43.27 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.518 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 6' ' ' GLU . 25.5 t -59.36 -48.75 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.133 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.85 -47.44 86.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.039 0.447 . . . . 0.0 109.879 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -61.64 -44.99 95.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.281 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -64.79 -37.74 88.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.951 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -58.42 -51.38 70.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.87 89.56 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.471 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -61.84 -50.08 73.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.682 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.28 -32.51 81.0 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.532 HD23 ' C ' ' A' ' 18' ' ' LEU . 4.9 tt -62.92 -53.57 51.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.57 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.512 ' CE1' HG11 ' A' ' 35' ' ' VAL . 1.7 m-85 -57.25 -27.63 62.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.217 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 37.6 t0 -101.12 88.33 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -66.3 -35.91 81.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.092 0.473 . . . . 0.0 110.392 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.58 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.1 p30 -95.73 31.41 2.07 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.797 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.26 65.42 0.01 OUTLIER Glycine 0 N--CA 1.468 0.773 0 O-C-N 123.442 0.464 . . . . 0.0 112.077 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 58.1 m-20 -91.53 -26.31 18.83 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 111.05 3.39 28.01 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 5.6 m -163.18 127.54 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 110.648 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.5 mt -76.82 123.56 33.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.893 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.0 m -98.26 152.81 19.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.61 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 t -47.64 -43.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.154 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -58.59 -60.93 3.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 69.4 mt-10 -53.66 -44.1 69.35 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.237 0.541 . . . . 0.0 109.737 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD12 ' CE1' ' A' ' 19' ' ' PHE . 6.9 tp -61.38 -38.8 88.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.22 -48.18 81.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.178 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.2 m -56.82 -51.01 70.67 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.301 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.512 HG11 ' CE1' ' A' ' 19' ' ' PHE . 86.8 t -59.33 -43.91 91.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.436 ' CD1' HD21 ' A' ' 48' ' ' LEU . 72.5 mt -62.9 -43.15 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.691 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -54.11 -46.65 72.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.316 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.7 p -70.05 -39.72 75.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.175 0.512 . . . . 0.0 109.796 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 36.9 tp -72.57 -3.83 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.868 0.842 . . . . 0.0 110.191 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -159.37 -134.49 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.48 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -151.96 66.35 0.85 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 48.94 82.94 0.23 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.562 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.34 -94.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.714 2.276 . . . . 0.0 112.081 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.682 ' O ' HD13 ' A' ' 48' ' ' LEU . 8.6 t -156.13 137.03 13.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.145 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -68.72 -19.62 64.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -67.16 -63.2 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.62 -21.93 20.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.682 HD13 ' O ' ' A' ' 44' ' ' THR . 6.1 mp -73.68 -62.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.795 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 53' ' ' SER . 87.7 mt-30 -66.44 -23.61 66.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.147 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -68.67 -53.03 24.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.162 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.7 mtm -62.63 -42.72 99.76 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.937 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.464 HG12 HD11 ' A' ' 63' ' ' ILE . 68.6 mt -73.2 -25.67 21.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.777 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 5.4 t -69.76 -47.76 61.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.034 0.445 . . . . 0.0 111.042 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -53.37 -32.77 50.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.459 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 57' ' ' ALA . 65.0 t -96.64 -55.5 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.985 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.47 ' OD2' ' OD1' ' A' ' 60' ' ' ASN . 60.0 t0 -42.73 92.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.991 0.424 . . . . 0.0 110.48 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.619 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -47.48 -72.52 0.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.89 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.54 ' O ' ' C ' ' A' ' 59' ' ' GLY . 45.9 p-10 -65.51 19.56 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.047 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.619 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 20.48 58.62 0.01 OUTLIER Glycine 0 C--N 1.341 0.832 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.472 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 51.1 p-10 -90.45 -25.35 20.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.88 0.371 . . . . 0.0 110.173 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 102.81 14.26 27.52 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.472 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 7.6 p -140.14 150.07 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.473 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.464 HD11 HG12 ' A' ' 52' ' ' ILE . 84.5 mt -102.76 125.2 57.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.939 0.4 . . . . 0.0 110.682 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' GLU . 83.6 tt0 -101.59 158.13 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.191 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' GLU . 80.7 t80 -37.83 -57.64 0.99 Allowed 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 66.0 t0 -54.38 -35.86 63.27 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 120.956 0.407 . . . . 0.0 110.667 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' GLU . 71.6 mt-10 -75.87 -32.12 59.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.829 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.04 -44.12 81.03 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.24 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' ALA . 9.9 mp -62.35 -42.87 99.74 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.157 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.3 m -58.98 -43.33 91.38 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 121.499 0.666 . . . . 0.0 110.76 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.57 -47.04 85.59 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.248 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 8.8 mmt -77.74 -32.25 52.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.403 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -50.09 -33.96 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.968 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -81.36 -18.14 46.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 76' ' ' VAL . 64.8 tttm -71.02 129.19 38.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.235 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 75' ' ' LYS . 39.4 t 55.65 121.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -129.71 -146.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -89.59 28.24 1.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.766 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 80' ' ' ASP . 0.6 OUTLIER -147.72 -144.16 0.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.702 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.494 ' H ' HG22 ' A' ' 79' ' ' THR . 93.9 m-20 54.51 54.57 9.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.61 -57.28 4.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.75 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.51 -19.36 64.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.97 0.414 . . . . 0.0 110.71 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.454 ' OE1' ' OE2' ' A' ' 87' ' ' GLU . 1.9 tm-20 -76.31 -48.36 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.47 ' OE2' HG13 ' A' ' 76' ' ' VAL . 94.9 mt-10 -80.42 -37.05 32.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.105 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.53 -33.9 76.98 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.235 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -83.28 -40.9 18.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.342 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.547 ' OE1' ' NH2' ' B' ' 38' ' ' ARG . 95.2 mt-10 -66.41 -39.11 88.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.3 -56.07 17.02 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.187 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 62.6 t80 -55.19 -41.77 72.37 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.983 0.42 . . . . 0.0 109.982 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -59.15 -33.79 71.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.157 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.5 t -74.72 -60.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 8.4 m-85 -51.48 -44.42 62.47 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.252 -179.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' CZ ' ' A' ' 89' ' ' PHE . 21.3 m-20 -84.45 64.12 8.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.907 0.384 . . . . 0.0 110.87 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -41.93 -55.81 2.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.131 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 10.6 p30 -70.84 -3.69 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.188 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 93' ' ' ASP . 25.9 mt-30 44.12 44.25 6.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.639 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 50.4 p30 -82.44 -2.3 52.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.402 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.76 -3.42 74.31 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -137.57 143.86 41.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 0.0 110.542 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.5 mt -92.14 112.46 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.453 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 61.4 m -88.21 148.12 24.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.432 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.19 -45.15 53.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.7 t -60.16 -44.45 94.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.9 0.381 . . . . 0.0 110.704 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 60.9 mt-10 -61.74 -54.5 41.66 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.176 0.513 . . . . 0.0 110.682 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.442 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 55.1 tp -65.86 -22.25 66.52 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.861 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.455 ' O ' HG22 ' A' ' 110' ' ' ILE . 43.8 ttm180 -77.97 -49.19 14.57 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.109 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -53.78 -49.71 67.66 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.708 ' CG1' HD23 ' A' ' 112' ' ' LEU . 46.1 t -60.71 -66.57 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.041 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.473 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -32.2 -73.86 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.255 0.347 . . . . 0.0 111.18 -178.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.594 HG23 ' N ' ' A' ' 111' ' ' ASN . 21.1 tt -51.22 -45.31 31.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.488 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.594 ' N ' HG23 ' A' ' 110' ' ' ILE . 57.6 t30 -70.58 -8.46 51.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.236 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.708 HD23 ' CG1' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -86.12 18.3 3.16 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.973 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.04 -73.03 0.53 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -53.83 134.87 42.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.348 . . . . 0.0 110.188 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.497 ' C ' HD12 ' A' ' 116' ' ' LEU . 61.0 mttp -93.76 108.24 20.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.798 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 115' ' ' LYS . 9.6 mp -116.51 133.59 55.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.611 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.8 p -72.83 174.43 7.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.563 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 -69.37 -26.01 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.607 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -67.87 -50.44 56.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.46 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.547 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 23.6 tp10 -60.49 -44.76 95.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.25 0.548 . . . . 0.0 110.409 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.405 ' O ' ' HG2' ' A' ' 124' ' ' MET . 93.4 t -64.74 -41.14 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.08 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.1 -28.92 70.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.88 0.372 . . . . 0.0 110.508 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -69.13 -53.24 21.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.412 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 11.9 ptm -57.86 -38.56 75.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.303 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 124' ' ' MET . 4.3 mm -64.04 -43.2 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.272 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -69.44 -36.62 76.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.842 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -78.66 -57.06 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.285 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.455 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -49.69 -37.0 27.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.208 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 25.1 t0 -91.5 109.24 20.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.842 0.353 . . . . 0.0 110.114 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 130' ' ' LEU . 11.2 mp -61.3 -46.05 91.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.928 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 4.2 p30 -75.46 -4.93 42.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.706 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 46.51 42.07 13.31 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 57.4 m-20 -79.94 20.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 64.7 5.03 16.04 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -148.38 156.94 43.13 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.028 0.442 . . . . 0.0 110.489 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.4 t -122.25 125.69 73.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.773 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 2.5 m-20 -90.46 155.12 19.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.724 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -46.93 -42.92 18.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.387 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -61.77 -51.92 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.359 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 98.9 mt-10 -58.11 -40.67 81.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.253 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -61.66 -46.52 89.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.5 -45.88 93.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.467 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -64.36 -32.95 74.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.87 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.498 ' O ' ' SD ' ' A' ' 144' ' ' MET . 2.2 tmm? -76.52 -30.43 57.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.221 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.532 ' O ' HG23 ' A' ' 148' ' ' VAL . 4.4 tpp -88.86 -27.61 20.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.545 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 16.1 mmt -78.13 -41.12 36.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.649 ' O ' HG22 ' A' ' 147' ' ' THR . 51.9 m -68.95 1.17 3.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.649 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 145' ' ' MET . 46.8 t -50.04 124.92 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.923 0.392 . . . . 0.0 110.485 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.812 179.729 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -65.43 -35.46 81.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.484 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -63.69 -47.89 79.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.361 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.547 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 41.2 ttm105 -60.14 -44.66 94.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.076 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.455 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 8.6 m95 -61.09 -49.0 79.08 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.308 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -65.96 -34.22 77.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.042 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 66.7 m -59.28 -48.61 80.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.589 ' O ' HG23 ' B' ' 30' ' ' VAL . 15.8 m -61.94 -42.15 98.78 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.299 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t -68.21 -43.83 84.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 91.2 p -65.56 -44.56 86.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.073 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 33' ' ' ARG . 75.1 mt -63.17 -41.99 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.589 HG23 ' O ' ' B' ' 26' ' ' SER . 27.1 t -58.49 -45.38 90.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.209 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -64.44 -44.13 92.12 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.646 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -74.92 -27.62 60.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.25 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' B' ' 29' ' ' ILE . 66.1 ttp85 -66.75 -58.43 5.09 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.797 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 24.81 44.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.797 0.686 . . . . 0.0 111.366 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' B' ' 33' ' ' ARG . 54.8 ttp180 -59.64 -2.71 0.38 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.74 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' B' ' 34' ' ' ALA . 31.5 ptt180 -111.06 -5.2 14.83 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.417 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 2.2 m-85 65.95 47.21 2.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.604 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.547 ' NH2' ' OE1' ' A' ' 87' ' ' GLU . 13.7 ptm180 -43.86 -26.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.561 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 26.9 ttt -70.11 -64.2 0.93 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.398 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.84 -42.92 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.293 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' B' ' 42' ' ' ASN . 6.0 p -54.06 -53.05 58.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.139 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' B' ' 38' ' ' ARG . 80.0 m-20 -69.96 -39.4 76.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.965 0.412 . . . . 0.0 110.662 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.543 -179.242 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.2 p-10 -91.96 156.86 17.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.2 tt -170.48 -17.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.619 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.29 126.06 40.35 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.47 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 p -109.55 161.07 15.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.515 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 10' ' ' VAL . 95.8 mt-10 -50.26 -28.92 8.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.414 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -59.0 -28.44 66.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.013 0.435 . . . . 0.0 110.771 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.531 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 9.4 mp0 -78.99 -55.32 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.987 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.2 mm -61.62 -40.49 86.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.341 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 6' ' ' GLU . 40.5 t -60.31 -50.7 79.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.227 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.479 ' O ' ' NH2' ' B' ' 33' ' ' ARG . 31.4 m-20 -54.34 -52.52 61.33 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.201 0.524 . . . . 0.0 110.523 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.502 ' CE2' ' ND2' ' B' ' 32' ' ' ASN . 18.4 m-85 -63.49 -42.2 98.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.555 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -61.0 -42.48 98.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.203 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.49 ' HB2' HH22 ' B' ' 33' ' ' ARG . 85.6 mt-10 -55.23 -52.35 63.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.129 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.39 -46.01 87.23 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.217 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.467 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 34.2 t80 -58.24 -48.77 79.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.128 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.05 -34.94 62.76 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.613 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.9 tt -62.28 -52.47 63.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.009 0.433 . . . . 0.0 110.086 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.633 ' CE1' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -53.35 -32.86 51.17 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.16 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 98.4 m-20 -93.88 76.35 4.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.684 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -51.86 -32.98 34.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.365 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 23' ' ' GLY . 53.3 p30 -101.98 37.7 1.8 Allowed 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.964 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.97 66.73 0.01 OUTLIER Glycine 0 C--N 1.343 0.953 0 O-C-N 124.085 0.866 . . . . 0.0 111.581 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 42.4 p-10 -92.72 -26.12 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -178.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 108.67 14.26 16.25 Favored Glycine 0 N--CA 1.465 0.6 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 9.4 m -162.61 166.04 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.7 mt -114.7 118.9 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 m -101.44 150.63 22.84 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.974 0.416 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.9 t -48.71 -42.4 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.04 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -61.98 -53.19 59.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.488 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 68.8 mt-10 -58.39 -44.45 88.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.939 0.4 . . . . 0.0 110.028 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.633 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.7 tp -60.9 -35.19 76.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.18 78.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 m -60.18 -48.74 80.45 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.719 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.1 t -60.48 -46.13 95.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.501 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' ASP . 76.6 mt -60.18 -43.14 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.485 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 40' ' ' ASP . 72.8 ttp85 -58.23 -33.17 69.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.068 0.461 . . . . 0.0 110.361 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -71.83 -41.25 68.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.872 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.4 pp -97.05 4.06 51.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.312 0.577 . . . . 0.0 110.932 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 37' ' ' ARG . 32.8 t70 -170.31 176.99 4.29 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -65.62 -153.52 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.252 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -122.88 82.97 49.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.948 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -55.44 -169.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.826 2.351 . . . . 0.0 111.796 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.578 HG22 ' H ' ' A' ' 46' ' ' GLU . 54.8 m -92.37 136.52 33.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.069 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -53.03 -40.32 63.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.578 ' H ' HG22 ' A' ' 44' ' ' THR . 77.6 tt0 -49.14 -42.57 39.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.321 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.04 -34.0 77.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.959 0.409 . . . . 0.0 110.466 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 48' ' ' LEU . 10.9 mp -74.41 -45.47 46.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.024 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -69.48 -30.14 67.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.17 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' GLU . 28.5 t70 -70.02 -57.6 4.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.752 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -60.07 -40.86 90.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.46 . . . . 0.0 110.734 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.687 HD13 HD11 ' A' ' 63' ' ' ILE . 5.8 mm -65.43 -38.58 82.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.678 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.8 t -85.1 -19.98 31.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.724 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ASP . 42.4 tp10 -57.2 -44.9 84.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.594 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 57' ' ' ALA . 92.1 t -97.77 -52.05 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.727 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -47.84 89.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.575 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.577 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.19 -73.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.6 p30 -59.3 4.71 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.827 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 18.48 60.42 0.01 OUTLIER Glycine 0 C--N 1.346 1.136 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.3 p-10 -76.76 -13.96 59.98 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.541 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.99 -1.6 44.5 Favored Glycine 0 N--CA 1.463 0.454 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.4 p -141.5 149.2 40.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.659 0.266 . . . . 0.0 110.645 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.687 HD11 HD13 ' A' ' 52' ' ' ILE . 67.0 mt -100.24 123.68 53.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.015 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -87.45 160.48 18.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.161 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -45.27 -53.79 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -54.9 -38.97 68.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.934 0.397 . . . . 0.0 110.694 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.73 -38.32 67.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.942 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.11 -44.98 96.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.119 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 73' ' ' ALA . 3.8 mm? -62.13 -50.78 70.51 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.5 p -65.38 -43.99 88.99 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.957 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.11 -45.07 83.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.0 tpt -83.57 -51.59 7.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 69' ' ' LEU . . . -53.06 -33.89 54.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.872 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -72.18 -58.24 3.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.084 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -36.81 -68.4 0.14 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.474 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.5 t -83.83 75.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.028 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -94.24 -100.89 0.15 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.42 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 59.5 t0 -111.33 21.58 16.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.891 0.377 . . . . 0.0 110.711 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.567 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 1.5 t -142.98 134.41 26.23 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-O 117.644 -1.17 . . . . 0.0 109.049 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.567 ' CG ' ' O ' ' A' ' 79' ' ' THR . 36.1 m-20 138.26 35.39 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 O-C-N 125.508 1.755 . . . . 0.0 110.665 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.61 -58.71 5.08 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.581 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.481 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 48.4 mp0 -61.23 -21.85 64.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.879 0.371 . . . . 0.0 110.461 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.25 -43.45 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 7.6 pt-20 -82.27 -35.56 27.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.258 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.98 -38.29 85.78 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.205 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -80.58 -43.73 20.13 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.231 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.547 ' OE1' ' NE ' ' B' ' 38' ' ' ARG . 58.8 mt-10 -66.81 -41.78 86.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.104 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -57.74 -51.76 68.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.667 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.3 -42.02 85.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.357 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -58.14 -37.34 74.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 87' ' ' GLU . 92.6 t -77.21 -48.79 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.429 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.09 -49.97 75.55 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.068 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.614 ' O ' ' N ' ' A' ' 96' ' ' GLN . 55.9 t0 -89.56 57.23 3.86 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.342 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' ASP . 16.4 ttmm -37.23 -50.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.745 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.453 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.3 m-20 -63.8 -24.52 67.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.752 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 93' ' ' ASP . 76.7 mt-30 61.35 19.26 10.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -65.48 -0.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.604 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 91.51 4.93 67.51 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -141.16 146.35 36.89 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.75 0.31 . . . . 0.0 110.635 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.2 mt -98.3 111.29 27.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.3 p -81.57 151.84 27.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.592 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.84 74.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.62 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.0 p -60.5 -41.91 95.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 110.663 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 29.9 mt-10 -65.01 -49.91 68.35 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.122 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.7 tp -67.09 -23.14 65.82 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.115 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.54 ' O ' HG22 ' A' ' 110' ' ' ILE . 78.6 ttt180 -83.75 -41.44 17.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.447 ' CE1' ' OD1' ' A' ' 111' ' ' ASN . 73.2 t60 -57.82 -50.0 74.76 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.564 0.54 . . . . 0.0 109.711 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 109' ' ' MET . 46.0 t -61.9 -64.49 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.863 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' VAL . 5.8 tpt -32.85 -73.97 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.821 0.343 . . . . 0.0 111.262 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.623 HG23 ' N ' ' A' ' 111' ' ' ASN . 17.4 tt -49.23 -48.07 18.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.132 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.623 ' N ' HG23 ' A' ' 110' ' ' ILE . 7.8 m120 -57.29 -14.44 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.274 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 114' ' ' GLU . 7.1 mp -107.83 82.76 1.69 Allowed 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.625 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 36.36 -83.71 0.0 OUTLIER Glycine 0 CA--C 1.521 0.456 0 O-C-N 123.747 0.654 . . . . 0.0 111.607 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 112' ' ' LEU . 52.4 tp10 -50.49 118.04 2.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.934 0.397 . . . . 0.0 110.453 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.51 ' C ' HD12 ' A' ' 116' ' ' LEU . 20.8 pttm -112.03 136.7 51.05 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.549 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 115' ' ' LYS . 10.5 mp -113.32 144.52 42.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.6 p -70.12 -178.52 1.66 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.36 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.18 -32.67 70.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -71.29 -42.33 68.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 0.0 110.732 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.88 -40.36 87.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.46 -60.35 2.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.762 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -56.09 -24.31 39.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.108 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -70.21 -65.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.932 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.624 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 6.3 ttp -47.16 -57.9 4.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.039 -178.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.478 HG23 ' N ' ' A' ' 126' ' ' LYS . 16.3 tt -53.02 -39.43 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.85 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.478 ' N ' HG23 ' A' ' 125' ' ' ILE . 1.5 tmmt? -65.54 -39.21 91.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.752 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -76.68 -58.4 3.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.23 -31.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.469 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 13.8 t0 -79.72 113.11 17.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.102 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.9 mt -74.45 -35.16 63.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.413 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.598 ' O ' ' O ' ' A' ' 132' ' ' GLY . 13.1 p-10 -94.97 0.57 54.78 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.785 -178.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.598 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 47.57 121.39 0.0 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.434 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 0.7 OUTLIER -168.46 -22.75 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 O-C-N 122.135 -0.626 . . . . 0.0 110.473 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.61 5.3 39.42 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.403 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 17.1 mt-30 -146.16 146.23 30.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.038 0.447 . . . . 0.0 110.221 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.3 t -112.89 128.22 69.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.927 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 49.9 t-20 -88.56 149.03 23.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.382 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 67.8 t80 -45.55 -40.89 9.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -59.57 -56.31 23.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.576 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -58.06 -40.57 81.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.041 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -58.92 -50.28 74.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.66 -46.81 90.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -58.4 -32.74 68.91 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.796 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.433 ' O ' HG21 ' A' ' 148' ' ' VAL . 27.6 ttt -70.42 -40.31 73.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.902 0.382 . . . . 0.0 110.488 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.51 ' O ' ' O ' ' A' ' 146' ' ' MET . 10.2 mmt -62.35 -22.14 65.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.4 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.51 ' O ' ' O ' ' A' ' 145' ' ' MET . 91.8 mmm -55.85 -141.07 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.241 0.543 . . . . 0.0 111.067 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.3 m -78.25 -67.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.931 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.568 HG12 HH21 ' B' ' 20' ' ' ARG . 11.0 t 64.11 104.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.537 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.552 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.568 HH21 HG12 ' A' ' 148' ' ' VAL . 32.2 ttm180 -61.42 -45.71 93.15 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.419 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -61.05 -41.43 96.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.488 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.424 ' CD ' HD21 ' A' ' 116' ' ' LEU . 14.3 tpp180 -59.06 -40.99 86.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.169 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.624 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 2.2 m95 -59.07 -48.6 81.0 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.966 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -66.36 -33.87 76.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.787 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.0 m -59.61 -46.11 89.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 92.2 p -61.37 -44.07 97.79 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.292 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 99.8 t -67.77 -40.3 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 56.3 m -61.42 -41.99 98.03 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.749 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.09 -41.93 93.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -58.56 -42.55 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -58.4 -47.48 83.75 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.014 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASN . . . . . 0.556 ' O ' ' ND2' ' B' ' 32' ' ' ASN . 0.3 OUTLIER -71.96 -20.83 61.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.621 -179.149 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.49 HH22 ' HB2' ' A' ' 14' ' ' GLU . 3.2 tpm_? -78.88 -58.75 3.08 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.462 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 33.06 51.55 0.28 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.567 0.542 . . . . 0.0 111.0 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -55.03 -8.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.07 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' B' ' 34' ' ' ALA . 96.0 mtt180 -115.43 -6.73 12.3 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.635 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.46 ' O ' ' CB ' ' B' ' 41' ' ' SER . 1.1 m-85 63.86 73.81 0.43 Allowed 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 121.042 0.449 . . . . 0.0 110.171 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.547 ' NE ' ' OE1' ' A' ' 87' ' ' GLU . 44.1 mtp180 -54.91 -42.71 72.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.036 0.446 . . . . 0.0 110.696 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 35.0 mmt -64.36 -61.73 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.335 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 93.0 mt -62.57 -43.44 98.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.69 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 80.9 p -54.37 -43.58 71.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -65.62 -41.46 92.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 62.6 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.392 -179.673 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -83.77 116.32 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 4' ' ' LEU . 13.2 tt -40.08 -50.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.513 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.636 ' N ' HG23 ' A' ' 3' ' ' ILE . 15.8 mt -99.91 107.11 19.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.529 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -78.49 151.34 32.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.634 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.4 mt-10 -44.26 -29.3 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.38 -44.2 88.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.09 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -54.29 -53.43 53.85 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.51 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.5 mp -58.31 -41.93 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 6' ' ' GLU . 41.0 t -60.82 -50.4 80.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.09 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -50.62 -53.29 31.96 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.49 ' CE2' HD21 ' A' ' 69' ' ' LEU . 59.0 m-85 -63.44 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.268 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -58.31 -46.49 86.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.077 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.45 -51.57 68.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.584 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.7 -45.73 74.03 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.933 0.397 . . . . 0.0 110.409 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 2.4 t80 -61.57 -44.61 96.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.818 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.42 -39.74 60.18 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.02 -43.4 98.83 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.735 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -64.39 -41.03 96.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 24' ' ' ASP . 36.6 t0 -94.2 75.08 4.0 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.361 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -58.45 -36.47 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.609 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.3 p30 -90.93 35.42 0.9 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.437 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.25 66.2 0.01 OUTLIER Glycine 0 CA--C 1.523 0.554 0 C-N-CA 121.372 -0.442 . . . . 0.0 112.712 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.526 ' H ' ' CG ' ' A' ' 20' ' ' ASP . 62.6 m-20 -92.92 -26.87 17.4 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.83 -26.95 8.57 Favored Glycine 0 N--CA 1.464 0.558 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -130.2 176.61 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.984 0.421 . . . . 0.0 110.198 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.7 mt -114.79 117.58 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.99 179.63 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -77.15 -49.13 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.399 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.04 -46.27 90.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.171 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.33 -45.68 84.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.397 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.559 HD22 HD11 ' A' ' 52' ' ' ILE . 6.0 tp -59.86 -41.23 91.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.088 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.86 97.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.299 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -58.33 -51.44 69.77 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.308 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -59.43 -46.64 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.7 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.61 -42.86 93.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.573 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -54.43 -38.36 66.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 0.0 110.396 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 p -96.57 23.61 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.527 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -128.3 -5.56 5.42 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.992 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER 177.24 -71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.696 -179.103 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.45 ' HG2' ' H ' ' A' ' 42' ' ' ASN . 6.3 tt0 -158.7 -174.24 4.68 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.319 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.45 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 37.1 t-20 -113.61 90.06 17.09 Favored Pre-proline 0 C--O 1.231 0.113 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.78 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.15 161.06 32.74 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.999 2.466 . . . . 0.0 112.13 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 47' ' ' GLU . 10.2 t -58.28 133.95 56.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.604 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -53.37 -31.41 44.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.628 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -51.93 -44.71 64.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.498 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.526 ' H ' HG23 ' A' ' 44' ' ' THR . 81.1 tt0 -64.66 -32.86 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.301 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.3 mt -75.49 -43.43 49.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.47 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -59.13 -38.35 79.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.248 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -72.4 -49.31 34.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 80.6 mtp -60.04 -43.6 95.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.312 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 32' ' ' LEU . 24.1 mm -64.66 -46.11 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.502 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.3 t -72.75 -14.13 61.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.232 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -62.71 -46.86 86.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.119 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.623 HG21 HD13 ' A' ' 71' ' ' LEU . 42.4 t -94.2 -32.6 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.277 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.508 ' OD1' ' OD1' ' A' ' 60' ' ' ASN . 7.2 t70 -48.0 102.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.56 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.92 6.71 30.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' ' N ' ' A' ' 60' ' ' ASN . 47.0 p-10 -129.77 13.32 5.85 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.953 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.38 34.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.582 ' N ' ' O ' ' A' ' 58' ' ' ASP . 24.5 p-10 -74.92 -29.92 61.1 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.379 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.53 -3.28 36.87 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.532 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 20.8 p -139.75 155.57 47.25 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.102 0.477 . . . . 0.0 110.691 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.551 HD11 HD13 ' A' ' 52' ' ' ILE . 67.7 mt -102.11 125.84 56.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 121.077 0.465 . . . . 0.0 110.168 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.511 ' HG3' ' H ' ' A' ' 67' ' ' GLU . 16.6 pt-20 -88.75 173.21 8.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.398 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.7 -41.81 91.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.31 -41.5 89.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.744 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.511 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 98.5 mt-10 -72.77 -45.6 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.472 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -59.13 -44.88 92.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.911 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.3 tt -61.17 -55.9 26.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.419 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.9 t -63.43 -44.73 93.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.623 HD13 HG21 ' A' ' 55' ' ' VAL . 23.7 tp -47.04 -57.32 5.16 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.473 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mmm -73.32 -54.08 9.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.224 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.38 -30.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.795 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -79.09 -55.62 4.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.068 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' O ' HG23 ' A' ' 76' ' ' VAL . 70.8 mmtt -74.9 91.96 2.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.072 0.463 . . . . 0.0 110.571 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.724 ' O ' HG12 ' A' ' 76' ' ' VAL . 55.2 t -154.29 69.14 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.468 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -109.4 -90.05 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 0.0 110.517 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 80' ' ' ASP . 51.7 t0 -147.28 -30.25 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.606 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 5.3 p 62.24 -64.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.823 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 78' ' ' ASP . 31.8 t70 -165.52 148.58 7.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.548 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.67 -55.74 9.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.242 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -55.46 -24.45 31.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -76.44 -58.13 3.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.052 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.538 ' OE2' ' NH1' ' B' ' 38' ' ' ARG . 77.0 mm-40 -69.42 -35.04 75.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.874 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 85' ' ' LEU . 88.5 mt -66.46 -37.23 84.68 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.382 0.611 . . . . 0.0 111.467 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -84.61 -46.99 10.99 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.53 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.577 ' O ' HG23 ' A' ' 91' ' ' VAL . 71.0 mm-40 -58.45 -42.74 88.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.078 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.97 -57.38 10.91 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.162 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.26 -39.08 72.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.499 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -60.55 -38.72 85.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.542 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 87' ' ' GLU . 99.0 t -75.42 -52.72 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.945 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -56.39 -47.12 79.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.173 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.549 ' O ' ' N ' ' A' ' 96' ' ' GLN . 37.6 t0 -85.89 59.52 5.68 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -38.95 -59.26 0.99 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.573 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -64.09 -8.44 11.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.456 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.549 ' N ' ' O ' ' A' ' 93' ' ' ASP . 34.8 mt-30 43.11 58.68 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.245 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -98.06 -1.06 43.36 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.786 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.502 ' O ' ' ND2' ' A' ' 137' ' ' ASN . . . 98.07 -0.42 58.9 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 34.6 m-85 -144.9 150.47 37.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.022 0.439 . . . . 0.0 110.541 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.16 115.74 37.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.218 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 p -86.99 149.32 24.85 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.166 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -44.42 68.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.973 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.4 m -60.42 -44.44 95.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -61.22 -55.0 37.1 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.658 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 41.4 tp -61.27 -21.85 64.3 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.48 ' O ' HG22 ' A' ' 110' ' ' ILE . 62.4 ttp180 -83.39 -43.04 16.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.222 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -54.34 -52.69 60.76 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.845 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 109' ' ' MET . 8.2 t -62.04 -64.95 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.406 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.7 tpt -31.18 -76.44 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.322 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 111' ' ' ASN . 21.0 tt -48.15 -48.17 12.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.636 ' N ' HG23 ' A' ' 110' ' ' ILE . 25.6 t-20 -63.12 -9.8 12.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.323 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.502 HD11 HH11 ' B' ' 33' ' ' ARG . 1.1 mp -100.1 11.74 38.62 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.602 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.82 -70.95 0.23 Allowed Glycine 0 CA--C 1.521 0.452 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -52.38 115.07 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.078 0.466 . . . . 0.0 110.223 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -100.02 115.03 28.78 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.331 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.4 mt -115.1 134.57 55.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.77 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.8 p -63.9 172.62 2.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 118' ' ' ASP . 65.9 t0 -66.59 -32.18 73.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.407 ' H ' ' HG2' ' A' ' 119' ' ' GLU . 10.1 pt-20 -69.09 -43.31 74.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.66 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.482 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 50.4 tp10 -65.08 -44.39 89.07 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.708 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.64 -44.86 98.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.15 -19.93 65.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.045 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -77.53 -63.77 1.3 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.096 0.474 . . . . 0.0 111.98 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 125' ' ' ILE . 4.9 ppp? -53.76 -42.63 68.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.593 ' N ' ' SD ' ' A' ' 124' ' ' MET . 11.0 tp -63.18 -42.2 95.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.507 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.489 ' N ' HG23 ' A' ' 125' ' ' ILE . 3.0 tppp? -64.43 -36.16 83.26 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.018 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -77.27 -53.03 8.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.576 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.574 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -48.28 -42.07 29.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.129 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 67.6 t0 -78.78 115.3 18.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 109.741 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.73 -41.26 96.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.064 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.452 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -86.15 -1.5 57.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.729 -179.081 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 48.03 39.07 18.51 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 78.8 m-20 -71.61 -15.21 62.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.984 0.421 . . . . 0.0 110.335 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.02 -1.87 56.56 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -145.13 149.95 35.92 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.904 0.383 . . . . 0.0 110.309 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.9 t -108.15 123.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.849 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 98' ' ' GLY . 18.4 t-20 -89.38 159.25 17.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.429 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -49.86 -41.58 45.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.233 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.94 -52.06 65.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.452 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 94.1 mt-10 -61.42 -37.52 83.79 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -61.44 -49.0 78.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.136 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 146' ' ' MET . 41.8 t -57.55 -46.41 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.816 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -68.0 -30.15 69.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.042 0.449 . . . . 0.0 111.189 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.521 ' O ' ' SD ' ' A' ' 144' ' ' MET . 4.3 tpt -75.6 -40.55 56.29 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.613 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.619 ' O ' ' N ' ' A' ' 147' ' ' THR . 92.4 mmm -96.03 -28.91 14.41 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.523 ' N ' ' O ' ' A' ' 142' ' ' VAL . 94.8 mtp 32.83 28.45 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.186 -178.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.619 ' N ' ' O ' ' A' ' 145' ' ' MET . 9.2 m 63.68 74.83 0.41 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -178.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.62 124.0 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-O 121.0 0.429 . . . . 0.0 110.816 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.455 ' NH1' ' OD2' ' A' ' 78' ' ' ASP . 85.1 mtm180 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.793 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -60.52 -31.29 70.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -60.94 -49.7 76.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.353 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.482 ' NH1' ' OE2' ' A' ' 120' ' ' GLU . 16.9 mmt85 -63.74 -45.04 91.69 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.207 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.574 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 1.7 m95 -63.23 -45.26 92.44 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -67.72 -40.27 84.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.849 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.5 t -58.48 -44.02 89.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.936 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.494 ' O ' HG23 ' B' ' 30' ' ' VAL . 50.3 p -61.16 -44.05 97.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.161 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 59.4 t -67.5 -42.92 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.535 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 59.8 m -59.52 -44.85 93.05 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.393 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.69 -41.7 91.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 26' ' ' SER . 55.9 t -60.35 -42.16 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.413 ' HD2' HH11 ' B' ' 38' ' ' ARG . 19.6 tptm -59.28 -47.66 84.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.042 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -67.44 -34.98 78.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.015 0.436 . . . . 0.0 110.085 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.502 HH11 HD11 ' A' ' 112' ' ' LEU . 49.3 ttp180 -65.94 -55.42 16.93 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.415 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 28.54 92.36 0.01 OUTLIER 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.42 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -90.18 -5.9 55.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.024 0.44 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.503 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 76.9 mmt-85 -108.44 1.22 21.51 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.44 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.503 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.4 OUTLIER 63.3 47.2 4.11 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.456 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.538 ' NH1' ' OE2' ' A' ' 84' ' ' GLU . 13.6 ptp180 -40.24 -30.61 0.1 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.689 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.48 ' C ' ' SD ' ' B' ' 39' ' ' MET . 1.1 tmt? -68.87 -65.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.699 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.03 -43.37 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.368 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.6 p -55.95 -42.72 76.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.227 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.421 ' C ' ' OD1' ' B' ' 42' ' ' ASN . 48.5 t-20 -64.05 -41.7 97.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.358 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.632 179.808 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 51.25 -179.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.376 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.2 mm -137.5 133.54 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.465 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.2 mt -93.93 -88.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.35 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 7' ' ' GLU . 24.8 p -157.87 156.73 31.91 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.793 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 10' ' ' VAL . 97.4 mt-10 -48.66 -8.75 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.118 179.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 5' ' ' SER . 75.2 mt-10 -64.3 -52.79 56.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.262 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -52.88 -50.04 64.67 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.19 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.91 -43.63 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.024 0.44 . . . . 0.0 110.587 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 6' ' ' GLU . 14.0 t -59.25 -47.55 89.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.643 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -58.94 -50.15 75.15 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.292 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -61.84 -44.39 96.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.902 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -62.45 -38.74 90.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.394 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -66.12 -51.07 61.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.404 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.0 85.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.267 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 34.0 t80 -60.36 -49.63 76.83 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.191 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.78 -30.73 66.44 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.21 -50.41 68.17 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.167 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CE1' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -58.54 -30.92 67.48 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.312 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -96.42 84.87 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.929 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -62.2 -40.42 96.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.019 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' GLY . 54.3 p-10 -91.67 34.22 0.99 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.054 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.97 62.19 0.01 OUTLIER Glycine 0 N--CA 1.474 1.206 0 O-C-N 123.848 0.718 . . . . 0.0 112.421 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 10.9 p-10 -87.28 -22.49 25.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.4 . . . . 0.0 110.791 -178.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 112.24 -20.69 20.99 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.2 m -143.15 136.01 27.77 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.0 mt -76.78 124.05 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.8 -172.76 4.15 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.711 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.1 t -80.46 -49.01 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.535 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.78 -49.43 76.37 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.622 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -55.11 -45.29 75.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.093 0.473 . . . . 0.0 110.154 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.588 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.8 tp -60.31 -39.55 87.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.048 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.28 -45.85 92.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.811 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 m -58.21 -48.74 79.43 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.573 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.02 -46.58 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.933 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.494 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 80.9 mt -62.96 -47.19 93.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.614 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -43.85 -54.95 4.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.092 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.4 p -64.42 -36.88 85.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.432 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.525 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -75.98 -2.52 30.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.349 -179.065 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.512 ' CG ' ' N ' ' A' ' 41' ' ' GLN . 45.8 p-10 -157.83 -128.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.952 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.512 ' N ' ' CG ' ' A' ' 40' ' ' ASP . 87.0 mt-30 -122.68 -77.94 0.6 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.824 0.345 . . . . 0.0 110.648 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -154.48 106.07 2.38 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.686 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -77.68 -170.1 0.88 Allowed 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.193 1.928 . . . . 0.0 111.717 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 46' ' ' GLU . 29.7 m -120.86 151.88 39.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.294 0.568 . . . . 0.0 110.367 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.34 -40.82 77.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.2 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.448 ' H ' HG22 ' A' ' 44' ' ' THR . 79.8 mm-40 -61.2 -59.75 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.303 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.61 -32.53 65.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.0 0.429 . . . . 0.0 110.475 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 48' ' ' LEU . 39.5 mt -73.55 -53.25 10.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.994 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.8 -24.7 67.63 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.123 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 97.9 m-20 -68.66 -58.52 4.13 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.753 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.7 ttp -61.91 -39.06 90.71 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.173 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.688 HD13 HD11 ' A' ' 63' ' ' ILE . 6.2 mm -67.77 -23.47 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.543 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -87.97 -27.05 22.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.968 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -77.22 -7.81 56.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.358 . . . . 0.0 110.636 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.466 HG21 HD13 ' A' ' 71' ' ' LEU . 21.7 t -118.34 -33.75 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.515 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 52' ' ' ILE . 1.3 m-20 -67.86 106.68 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.158 0.504 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.13 6.5 32.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.762 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 59' ' ' GLY . 52.0 p30 -128.65 16.0 6.45 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.715 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.39 39.82 0.03 OUTLIER Glycine 0 N--CA 1.47 0.949 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 46.7 p-10 -82.39 -30.27 30.34 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.959 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 101.73 -0.19 52.47 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 p -135.93 157.5 46.69 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 122.659 -0.318 . . . . 0.0 110.192 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.688 HD11 HD13 ' A' ' 52' ' ' ILE . 73.0 mt -103.12 130.41 53.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.272 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.537 ' OE2' ' ND2' ' A' ' 60' ' ' ASN . 30.8 mp0 -96.04 163.74 13.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.328 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -51.05 -45.06 61.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.468 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -61.1 -39.31 89.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.425 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -72.48 -44.76 61.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -61.3 -45.46 94.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.504 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.2 tt -60.99 -51.79 67.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.012 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.3 t -64.34 -41.85 96.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.636 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.466 HD13 HG21 ' A' ' 55' ' ' VAL . 32.7 tp -50.43 -46.43 56.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.648 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.5 mmt -84.43 -61.58 1.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.964 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.8 -43.35 2.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.7 -63.63 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.723 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -121.7 105.4 10.37 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 77' ' ' LYS . 57.6 t -93.88 -102.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.812 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.616 ' NZ ' ' NH2' ' B' ' 38' ' ' ARG . 26.7 ttpp -173.61 83.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.277 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -133.95 18.41 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 1.6 t -106.67 33.14 4.06 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.465 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 79' ' ' THR . 64.9 m-20 -160.12 105.1 1.52 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.991 0.424 . . . . 0.0 110.531 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.96 -54.22 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.783 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -52.7 -19.26 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.129 0.49 . . . . 0.0 110.7 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.462 ' HG3' ' HZ3' ' A' ' 77' ' ' LYS . 46.3 tp10 -83.63 -57.14 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.053 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.96 -37.38 84.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.142 0.496 . . . . 0.0 110.298 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.23 -42.79 83.45 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.157 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -82.05 -43.42 17.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.026 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.527 ' OE2' ' NE ' ' B' ' 38' ' ' ARG . 74.1 tt0 -61.95 -37.33 84.34 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.82 -56.04 18.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.813 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -51.97 -41.69 62.33 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.646 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -61.43 -35.66 78.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 87' ' ' GLU . 75.4 t -76.92 -51.12 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.461 . . . . 0.0 110.817 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -63.49 -48.33 78.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.668 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.4 t0 -92.09 72.6 5.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.397 . . . . 0.0 109.978 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -44.29 -53.61 6.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.312 -178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 20.4 p-10 -74.99 -3.05 30.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.947 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.509 ' C ' ' H ' ' A' ' 98' ' ' GLY . 78.5 mt-30 39.23 28.81 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.918 0.389 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' ASP . 38.2 p-10 -58.07 -2.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.615 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 101.82 -7.6 55.45 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 35.9 m-85 -140.06 146.86 39.49 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.9 mt -91.71 115.53 30.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -82.91 146.93 28.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.178 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.0 -45.21 75.05 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.483 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.1 m -59.64 -42.68 93.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.954 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.84 -53.9 43.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.134 0.493 . . . . 0.0 110.126 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -61.45 -25.34 67.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.02 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -78.23 -51.39 10.26 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.886 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -47.85 -52.3 19.6 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.538 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.553 ' O ' ' N ' ' A' ' 111' ' ' ASN . 43.4 t -60.16 -63.06 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.16 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.474 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -29.6 -70.91 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.396 0.435 . . . . 0.0 110.556 -178.249 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 111' ' ' ASN . 14.6 tt -54.92 -36.17 36.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.75 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 108' ' ' VAL . 5.0 t-20 -50.98 -12.76 0.12 Allowed 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.573 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.598 HD12 HG22 ' B' ' 29' ' ' ILE . 4.1 mm? -89.91 -111.42 0.08 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.22 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.37 32.75 1.84 Allowed Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.47 ' O ' HD12 ' A' ' 116' ' ' LEU . 93.5 mt-10 -139.49 114.39 9.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.623 0.249 . . . . 0.0 110.382 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -87.65 111.65 21.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.179 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 114' ' ' GLU . 2.1 mp -119.01 130.96 55.94 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.96 0.41 . . . . 0.0 110.625 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 121' ' ' VAL . 51.5 p -73.37 177.28 5.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.24 -26.7 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.436 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.03 -54.14 16.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.738 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -57.67 -39.42 77.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.208 0.528 . . . . 0.0 110.066 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 117' ' ' THR . 93.2 t -66.89 -43.9 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.149 0.499 . . . . 0.0 110.027 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.48 -22.14 66.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.294 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -75.77 -60.67 2.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.359 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.528 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 15.1 ptm -53.49 -45.93 69.83 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.844 -178.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.528 ' N ' ' CG ' ' A' ' 124' ' ' MET . 19.3 tt -62.76 -38.98 83.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.694 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -65.12 -40.15 94.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.634 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -79.5 -54.67 5.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.702 0.287 . . . . 0.0 110.779 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.77 -42.84 65.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.168 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.5 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 35.9 t0 -89.66 113.21 24.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.134 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 41.0 mt -62.65 -51.07 68.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.372 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 21.6 p-10 -82.21 -12.22 58.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.805 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.649 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 61.39 -91.08 0.06 OUTLIER Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.425 -0.893 . . . . 0.0 111.274 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 132' ' ' GLY . 0.4 OUTLIER 58.07 -11.3 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 121.289 -0.164 . . . . 0.0 111.113 -179.14 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.649 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 92.99 9.88 60.4 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.432 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 2.3 tt0 -150.57 160.46 43.78 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 122.527 -0.396 . . . . 0.0 110.695 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.2 t -127.71 126.71 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -86.3 155.06 20.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -52.08 -42.58 63.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.384 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.87 -45.54 92.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.559 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.441 ' OE1' ' OD1' ' A' ' 131' ' ' ASP . 40.9 mt-10 -65.56 -39.1 91.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.114 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -60.94 -46.76 89.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.62 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.41 -46.14 95.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.356 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -60.64 -33.95 73.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.442 ' O ' ' SD ' ' A' ' 144' ' ' MET . 2.8 tmm? -79.42 -35.81 39.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.882 0.372 . . . . 0.0 110.354 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.402 ' O ' ' SD ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -61.09 -31.92 71.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.686 -179.748 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 58.9 mtt -45.09 166.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.862 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 23.9 m -72.99 90.03 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.257 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.7 t -75.55 130.1 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.256 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.725 -179.723 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.706 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -60.43 -38.01 82.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.316 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -67.07 -39.48 86.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -62.23 -39.8 94.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.163 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -66.8 -51.63 53.41 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.138 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -65.82 -34.7 78.75 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.011 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 64.8 m -60.69 -46.47 90.24 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.675 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.454 ' O ' HG23 ' B' ' 30' ' ' VAL . 63.6 p -62.66 -44.81 95.32 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.521 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.67 -41.46 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.498 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.9 t -63.03 -43.88 97.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.598 HG22 HD12 ' A' ' 112' ' ' LEU . 63.9 mt -62.68 -41.01 90.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 26' ' ' SER . 26.3 t -57.19 -44.16 83.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.799 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.61 -43.41 98.87 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.641 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -68.51 -40.9 80.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.648 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.496 ' NH1' ' NH2' ' B' ' 35' ' ' ARG . 56.4 ttp180 -69.97 -45.26 67.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.906 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 36.86 53.08 1.09 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.86 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.496 ' NH2' ' NH1' ' B' ' 33' ' ' ARG . 37.4 ttm180 -57.1 -8.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.0 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.475 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 55.3 ttp180 -111.33 -3.57 15.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.091 0.472 . . . . 0.0 110.182 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.475 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.1 m-85 65.46 47.99 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.359 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.616 ' NH2' ' NZ ' ' A' ' 77' ' ' LYS . 72.9 mtp180 -40.08 -30.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.393 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -74.3 -70.06 0.42 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.849 -179.366 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.9 -24.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.304 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.0 p -76.69 -37.4 56.22 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.543 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 77.3 m-20 -104.07 12.23 34.29 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.557 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.666 ' C ' HD22 ' B' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.605 0 CA-C-O 117.856 -1.069 . . . . 0.0 112.269 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.53 ' C ' ' H ' ' A' ' 3' ' ' ILE . . . . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 3' ' ' ILE . 2.5 m-20 69.41 -35.2 0.3 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.043 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.53 ' H ' ' C ' ' A' ' 1' ' ' ALA . 93.9 mt -30.06 138.54 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.632 0.583 . . . . 0.0 110.771 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.35 43.66 0.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.442 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -73.98 153.82 39.58 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.228 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -55.92 -20.35 15.61 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.032 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -61.14 -56.95 14.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.479 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -47.59 -39.74 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.963 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -66.63 -43.4 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.08 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.29 -47.98 88.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.832 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -54.34 -62.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.973 0.416 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -58.26 -41.67 84.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.423 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -63.23 -32.47 73.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.635 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -65.78 -49.21 69.14 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.192 0.52 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.03 85.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.219 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -60.42 -49.84 75.96 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.968 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.55 -30.08 61.7 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.85 -48.21 72.35 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.469 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CE1' HG11 ' A' ' 35' ' ' VAL . 31.8 m-85 -62.82 -35.19 79.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 37.0 t0 -89.64 76.65 7.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.193 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -66.07 -23.77 66.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.428 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 24' ' ' ASP . 45.5 p30 -109.97 31.46 5.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.035 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 23.39 46.13 0.01 OUTLIER Glycine 0 N--CA 1.474 1.224 0 O-C-N 123.796 0.685 . . . . 0.0 111.98 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 11.3 p-10 -74.91 -27.63 60.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.843 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.499 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 110.59 -10.76 30.41 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.523 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.471 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 16.8 m -148.72 169.61 20.04 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 122.508 -0.407 . . . . 0.0 110.315 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.1 mt -111.01 115.78 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 0.0 109.995 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 m -81.85 153.03 26.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.5 t -53.16 -47.1 56.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.668 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -63.25 -50.6 69.57 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.458 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 19' ' ' PHE . 59.2 tt0 -54.21 -42.77 70.15 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.141 0.496 . . . . 0.0 109.728 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 tp -63.01 -36.17 82.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.029 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.82 -46.13 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.384 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.17 -45.82 86.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.964 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.591 HG11 ' CE1' ' A' ' 19' ' ' PHE . 96.1 t -63.91 -45.81 95.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.469 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.09 -43.59 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.586 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -56.62 -44.6 81.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.416 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.595 ' C ' ' H ' ' A' ' 40' ' ' ASP . 94.3 p -55.57 -28.71 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.446 ' C ' ' H ' ' A' ' 41' ' ' GLN . 1.5 tp -65.83 16.54 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.607 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.595 ' H ' ' C ' ' A' ' 38' ' ' SER . 3.0 t70 75.3 -37.3 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.402 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.446 ' H ' ' C ' ' A' ' 39' ' ' LEU . 95.4 mm-40 -77.9 158.13 29.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.008 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -147.26 69.84 11.71 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.83 0.348 . . . . 0.0 110.298 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.49 -152.96 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.879 2.386 . . . . 0.0 111.576 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 47' ' ' GLU . 5.6 t -119.86 148.15 43.83 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.864 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -57.53 -22.65 45.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.38 -43.67 98.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.331 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' H ' HG23 ' A' ' 44' ' ' THR . 97.0 mt-10 -66.8 -29.02 68.85 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.044 0.45 . . . . 0.0 110.851 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 48' ' ' LEU . 8.3 mp -77.64 -47.38 19.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.895 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 53' ' ' SER . 40.7 mm-40 -66.79 -28.59 68.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.179 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.54 -54.16 26.81 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.076 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtm -65.62 -37.97 88.1 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.768 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.402 HG22 ' OD2' ' A' ' 56' ' ' ASP . 20.0 mt -75.45 -31.38 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.013 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 7.1 p -64.81 -49.22 71.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.155 0.502 . . . . 0.0 110.891 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -64.65 -41.69 95.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.764 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.8 t -78.34 -20.92 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.024 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' OD2' HG22 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -55.82 98.77 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.045 0.45 . . . . 0.0 110.421 -179.399 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.57 -17.7 35.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.528 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.7 p30 -128.24 22.94 6.05 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.971 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 28.45 39.3 0.01 OUTLIER Glycine 0 N--CA 1.472 1.036 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 47.2 p30 -79.6 -25.91 41.37 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.703 0.287 . . . . 0.0 110.894 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.532 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 97.35 -6.6 63.49 Favored Glycine 0 N--CA 1.463 0.463 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.0 p -126.29 167.02 16.05 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.3 mt -106.8 132.44 54.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.274 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.494 ' OE1' ' ND2' ' A' ' 60' ' ' ASN . 1.6 mp0 -101.37 155.69 17.9 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.344 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -42.76 -48.6 5.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.639 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -61.6 -34.6 75.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.184 0.516 . . . . 0.0 110.564 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 64' ' ' GLU . 96.5 mt-10 -75.04 -45.61 40.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.847 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -62.87 -35.93 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.716 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -62.79 -61.9 2.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.454 -179.446 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.3 t -62.03 -37.65 85.75 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.284 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.696 HD23 ' C ' ' A' ' 71' ' ' LEU . 6.6 tt -57.03 -45.41 83.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.634 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.7 tpt -86.52 -48.28 8.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.954 0.406 . . . . 0.0 111.037 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.02 -20.27 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.452 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 75' ' ' LYS . 13.2 tptt -59.02 -63.61 1.24 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.741 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.542 ' O ' ' C ' ' A' ' 76' ' ' VAL . 63.6 tttp -44.01 -90.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.698 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.542 ' C ' ' O ' ' A' ' 75' ' ' LYS . 4.1 t -4.99 108.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 O-C-N 124.706 1.254 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 44.3 tttp 78.53 99.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.381 0.425 . . . . 0.0 110.33 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 0.8 OUTLIER 165.99 -14.78 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 p -84.55 155.65 22.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.383 . . . . 0.0 110.836 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.55 170.22 5.28 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.4 0.619 . . . . 0.0 110.458 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.55 -52.58 24.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.351 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.4 mp0 -57.97 -19.41 30.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.637 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -78.03 -57.49 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.712 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -69.92 -35.55 74.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.102 0.477 . . . . 0.0 110.784 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.48 -38.85 85.01 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.338 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -82.13 -44.55 16.33 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.332 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 91' ' ' VAL . 64.8 mm-40 -60.89 -38.13 84.61 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.171 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.54 -57.34 8.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.903 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.41 ' CE1' ' OD2' ' A' ' 93' ' ' ASP . 57.0 t80 -53.72 -38.19 64.06 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.053 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -59.4 -35.72 74.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.034 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 87' ' ' GLU . 79.8 t -73.44 -53.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.857 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -62.3 -47.73 83.02 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.183 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.3 t0 -80.47 62.39 4.55 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.098 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' C ' ' H ' ' A' ' 96' ' ' GLN . 36.9 ttmt -43.96 -56.51 3.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.062 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.468 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -66.04 0.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.641 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' ASP . 17.2 pt20 34.42 42.75 0.07 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.515 0.509 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -89.89 1.99 55.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.752 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.91 -7.58 80.98 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -130.84 135.68 47.95 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.6 mt -94.69 116.51 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.898 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 m -87.8 152.19 22.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.563 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.99 -45.47 64.51 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.632 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.0 m -57.26 -37.9 73.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.556 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 64.3 mt-10 -66.36 -54.84 19.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.224 0.535 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.405 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 52.7 tp -63.67 -27.87 69.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.198 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.425 ' O ' HG22 ' A' ' 110' ' ' ILE . 77.8 ttt180 -74.85 -46.61 35.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.056 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -55.19 -49.49 71.78 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.501 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 109' ' ' MET . 48.8 t -61.71 -62.68 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.054 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.6 OUTLIER -32.71 -76.5 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.857 0.36 . . . . 0.0 111.199 -179.211 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.625 HG23 ' N ' ' A' ' 111' ' ' ASN . 19.7 tt -49.84 -46.7 22.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.988 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.625 ' N ' HG23 ' A' ' 110' ' ' ILE . 37.9 t30 -48.63 -10.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.532 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 110' ' ' ILE . 45.2 mt -103.42 -154.99 0.51 Allowed 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.616 ' N ' ' NH2' ' B' ' 33' ' ' ARG . . . -89.54 -16.34 57.05 Favored Glycine 0 CA--C 1.519 0.297 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -88.68 102.33 14.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.859 0.361 . . . . 0.0 110.114 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -90.69 110.25 21.42 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.5 mt -109.59 154.96 22.04 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.04 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 121' ' ' VAL . 53.1 p -91.5 176.98 6.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -65.12 -38.0 89.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.887 0.375 . . . . 0.0 110.928 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -68.01 -45.42 74.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.519 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 50.2 tp10 -64.26 -39.42 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.451 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 117' ' ' THR . 42.3 t -60.96 -46.72 96.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.221 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.91 -39.35 85.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.255 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -57.62 -62.26 1.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.405 ' CE ' ' CD1' ' B' ' 23' ' ' TRP . 26.5 ttt -48.48 -46.69 38.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.846 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.1 mm -56.82 -37.8 55.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.651 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -78.71 -23.84 45.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.046 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -84.01 -58.14 2.9 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.497 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.719 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -58.98 -42.56 90.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.496 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.547 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 46.8 t0 -81.44 115.72 20.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.152 0.501 . . . . 0.0 110.38 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 1.012 ' H ' HD22 ' A' ' 130' ' ' LEU . 0.5 OUTLIER -67.05 -52.65 39.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.342 -178.596 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 11.5 p-10 -86.0 -8.83 57.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.531 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.733 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 63.35 -81.83 0.04 OUTLIER Glycine 0 C--O 1.228 -0.233 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.19 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.44 ' CG ' ' C ' ' A' ' 132' ' ' GLY . 0.1 OUTLIER 52.8 -12.21 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 122.261 0.224 . . . . 0.0 110.93 -179.406 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.733 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 96.13 4.51 59.88 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.498 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 14.1 pt20 -151.32 161.16 43.21 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 122.516 -0.402 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.2 t -123.93 127.62 73.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-O 120.871 0.367 . . . . 0.0 111.374 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -88.78 163.75 15.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.352 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.53 -38.68 78.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.458 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.89 -51.14 71.3 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.131 0.491 . . . . 0.0 110.716 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.448 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 88.7 mt-10 -60.21 -37.45 80.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.142 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.37 -47.66 84.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.5 -58.29 5.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.835 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -60.22 -30.51 69.45 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.977 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.509 ' O ' ' SD ' ' A' ' 144' ' ' MET . 0.7 OUTLIER -72.29 -23.66 61.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.224 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.526 ' O ' ' N ' ' A' ' 147' ' ' THR . 88.7 mmm -92.19 -19.36 22.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.471 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 55.5 mmm -62.94 52.27 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.63 0.581 . . . . 0.0 110.921 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 145' ' ' MET . 40.6 m 44.17 83.29 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.829 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 144' ' ' MET . 15.3 t -83.94 60.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.062 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.905 -1.045 . . . . 0.0 110.116 -179.686 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -59.49 -33.76 71.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -68.42 -39.08 81.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.613 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.519 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 83.6 mtt85 -61.83 -42.01 98.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.467 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.719 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.8 m95 -64.51 -51.04 64.96 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.172 0.51 . . . . 0.0 110.3 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -65.37 -37.83 88.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.768 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 73.0 m -60.87 -42.21 97.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.004 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.447 ' O ' HG23 ' B' ' 30' ' ' VAL . 68.6 m -59.7 -44.41 93.69 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.27 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -68.09 -44.83 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.887 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m -68.87 -40.72 79.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.403 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' B' ' 33' ' ' ARG . 61.3 mt -62.86 -42.71 97.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 26' ' ' SER . 29.5 t -60.91 -46.73 95.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.154 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -66.95 -45.97 76.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.758 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -67.37 -38.94 85.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.671 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.616 ' NH2' ' N ' ' A' ' 113' ' ' GLY . 57.8 ttm-85 -64.55 -44.08 91.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.617 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 38.49 -86.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.45 0.468 . . . . 0.0 110.258 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.615 ' NH2' ' NH1' ' B' ' 33' ' ' ARG . 36.7 ttm180 65.53 -32.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.496 0.497 . . . . 0.0 110.364 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.617 ' H ' ' C ' ' B' ' 34' ' ' ALA . 61.3 ttt180 -86.84 -6.82 58.68 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.507 ' CZ ' ' O ' ' B' ' 35' ' ' ARG . 0.5 OUTLIER 64.68 43.36 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.374 179.273 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' B' ' 37' ' ' PHE . 50.4 mtm180 -35.83 -34.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.099 0.476 . . . . 0.0 110.953 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.439 ' N ' ' O ' ' B' ' 37' ' ' PHE . 9.6 tpt -69.02 -69.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.787 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.33 -43.05 98.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.653 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.7 t -54.61 -45.26 73.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.107 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -64.14 -41.59 97.14 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.398 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.534 HD22 ' N ' ' B' ' 43' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.862 -1.066 . . . . 0.0 110.421 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.4 p30 -46.56 168.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.527 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.639 HG22 ' H ' ' A' ' 4' ' ' LEU . 1.2 mt -85.74 -157.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.364 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.639 ' H ' HG22 ' A' ' 3' ' ' ILE . 4.1 mp -138.18 28.21 2.56 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.612 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 p -65.89 143.58 57.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 10' ' ' VAL . 48.5 mt-10 -52.0 -29.2 19.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.32 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -57.72 -57.19 13.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -50.46 -47.3 56.97 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.03 -43.7 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.604 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 6' ' ' GLU . 19.7 t -56.76 -47.39 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -57.33 -49.75 75.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -57.78 -42.69 84.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.062 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -60.05 -39.97 87.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.22 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -59.36 -51.85 68.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.156 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -40.48 70.05 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.245 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -61.56 -47.01 87.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.87 -38.49 64.99 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.75 -46.37 82.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.748 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.401 ' CE1' HG11 ' A' ' 35' ' ' VAL . 2.8 m-85 -67.06 -42.09 85.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.719 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.1 t0 -95.99 76.84 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.07 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.46 -30.38 64.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.129 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -102.1 32.69 3.37 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.59 64.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 O-C-N 123.486 0.491 . . . . 0.0 112.205 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . 50.1 m-20 -89.18 -25.06 22.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.16 9.43 22.15 Favored Glycine 0 N--CA 1.466 0.694 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.3 p -171.48 125.17 0.6 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.966 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mt -74.58 128.06 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 29' ' ' VAL . 32.3 m -96.54 154.5 17.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.099 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.402 ' N ' HG22 ' A' ' 28' ' ' THR . 43.6 t -47.33 -45.24 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.002 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.54 -54.14 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.332 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -50.84 -42.56 58.66 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -41.0 97.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.586 179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.02 -47.9 79.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.108 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 m -59.17 -55.0 40.59 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.61 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.401 HG11 ' CE1' ' A' ' 19' ' ' PHE . 87.5 t -60.73 -46.04 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.681 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 63.4 mt -59.75 -41.61 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.156 0.503 . . . . 0.0 109.826 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -63.79 -28.98 70.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.039 0.447 . . . . 0.0 109.903 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 t -86.47 23.83 1.53 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -112.47 8.78 19.5 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 3.1 t70 83.92 19.67 0.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.651 0.595 . . . . 0.0 110.825 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' B' ' 41' ' ' SER . 19.6 pt20 -150.71 160.49 43.81 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.343 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -143.49 75.23 16.72 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.27 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.43 165.16 31.23 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.953 2.435 . . . . 0.0 112.21 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.427 HG23 ' H ' ' A' ' 47' ' ' GLU . 8.8 t -74.61 149.29 40.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.538 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' LEU . 4.0 mt-10 -57.42 -42.06 81.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.275 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -42.17 -46.43 4.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.452 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' H ' HG23 ' A' ' 44' ' ' THR . 98.7 mt-10 -67.13 -28.79 68.43 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 45' ' ' GLU . 44.1 mt -78.24 -48.76 15.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.948 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -63.41 -29.41 70.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.274 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -70.62 -59.69 2.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.711 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -59.39 -41.32 89.1 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.773 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.6 mt -66.02 -28.33 43.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.229 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -87.64 -22.46 24.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.872 0.368 . . . . 0.0 110.388 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -70.98 -4.19 23.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.7 t -129.67 -39.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.727 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 67.4 t0 -46.74 105.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.39 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.35 5.06 32.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.573 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 1.7 p-10 -131.43 16.21 4.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.101 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.94 39.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.539 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 42.7 p-10 -82.62 -31.67 28.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.458 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 101.57 0.48 53.07 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.521 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 13.6 p -137.49 139.99 40.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.725 0.298 . . . . 0.0 110.304 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.2 mt -93.15 127.26 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.407 . . . . 0.0 110.48 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.43 161.06 16.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.415 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -46.59 -48.93 19.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.386 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -60.59 -38.38 84.44 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.375 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -73.69 -44.36 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.617 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -61.59 -44.18 97.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.216 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.6 tt -57.97 -59.6 5.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.325 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.1 p -60.3 -38.08 82.52 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.557 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 tt -55.27 -48.57 73.83 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.962 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -81.17 -47.1 13.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.285 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.21 -34.72 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.594 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -81.52 -58.71 2.9 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -75.87 106.37 7.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.356 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.772 HG12 ' H ' ' A' ' 77' ' ' LYS . 47.7 t -140.92 -123.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.772 ' H ' HG12 ' A' ' 76' ' ' VAL . 10.2 tttm -14.4 123.34 0.01 OUTLIER 'General case' 0 C--N 1.344 0.365 0 O-C-N 123.631 0.582 . . . . 0.0 110.951 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.476 ' C ' ' OG1' ' A' ' 79' ' ' THR . 39.0 t70 -99.08 -80.13 0.47 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.155 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.476 ' OG1' ' C ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 172.24 -166.82 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.268 -179.583 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 79' ' ' THR . 88.7 m-20 58.02 133.14 0.0 OUTLIER 'General case' 0 C--O 1.242 0.678 0 CA-C-O 121.83 0.824 . . . . 0.0 110.809 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.47 -50.94 14.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.24 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 57.6 mp0 -57.4 -15.65 7.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -84.21 -55.59 4.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -67.52 -38.81 84.8 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.156 0.503 . . . . 0.0 110.656 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.65 -30.35 68.02 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.707 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.6 -40.31 17.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.237 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.599 ' O ' HG23 ' A' ' 91' ' ' VAL . 77.7 mt-10 -57.09 -43.83 82.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.036 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.04 -58.17 6.1 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.488 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 68.1 t80 -53.69 -38.48 64.28 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.369 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -62.27 -38.3 88.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.728 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 87' ' ' GLU . 99.5 t -75.43 -52.16 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -62.13 -48.59 79.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.405 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 96' ' ' GLN . 10.0 t0 -88.28 62.37 6.66 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -39.89 -57.8 1.52 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.816 0.341 . . . . 0.0 111.516 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 38.3 p-10 -68.94 -7.99 40.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.542 ' N ' ' O ' ' A' ' 93' ' ' ASP . 36.6 mt-30 40.67 61.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.417 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -96.85 -1.21 46.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.583 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.424 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.08 -4.87 52.57 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.508 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 9.9 m-85 -142.92 148.47 36.98 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.756 0.312 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 mt -96.0 117.08 39.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -86.12 147.42 26.16 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.725 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.94 -43.89 66.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.6 p -60.29 -41.2 92.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.633 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.7 -50.54 62.52 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.179 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.5 tp -66.53 -23.32 66.21 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.345 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.466 ' O ' HG22 ' A' ' 110' ' ' ILE . 79.5 ttt-85 -83.2 -43.06 16.54 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.575 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -54.47 -51.25 65.61 Favored 'General case' 0 CA--C 1.519 -0.212 0 O-C-N 123.562 0.539 . . . . 0.0 109.776 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.5 ' O ' ' C ' ' A' ' 109' ' ' MET . 21.9 t -62.5 -63.28 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.5 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -30.07 -74.26 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.933 -178.763 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.563 HG23 ' N ' ' A' ' 111' ' ' ASN . 16.4 tt -49.19 -44.44 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.105 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.563 ' N ' HG23 ' A' ' 110' ' ' ILE . 63.8 t30 -49.7 -8.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.622 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.539 ' H ' ' C ' ' A' ' 110' ' ' ILE . 71.7 mt -97.59 10.51 39.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.506 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 77.98 45.73 10.12 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -135.38 130.2 34.55 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.205 0.526 . . . . 0.0 110.484 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -99.5 94.94 6.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.739 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.1 mt -100.2 131.86 45.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.324 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 p -70.42 160.57 32.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.243 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.62 -33.2 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.01 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 60.5 mp0 -68.78 -43.92 74.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.721 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -64.83 -45.19 87.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.48 -46.12 93.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.406 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.519 ' OE2' ' NZ ' ' A' ' 126' ' ' LYS . 36.9 tp10 -60.25 -27.4 67.19 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.319 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -70.94 -60.16 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.452 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.457 ' HE2' ' CE2' ' B' ' 23' ' ' TRP . 23.7 ttt -44.78 -54.43 6.34 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.765 0.317 . . . . 0.0 111.045 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 126' ' ' LYS . 4.4 tp -55.84 -43.0 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.582 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.519 ' NZ ' ' OE2' ' A' ' 122' ' ' GLU . 47.8 mttp -71.34 -28.44 64.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.427 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -79.1 -55.19 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.706 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -48.37 -41.88 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.536 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.2 t0 -79.07 107.83 12.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.24 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.635 HD23 ' H ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -79.61 -26.68 41.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 132' ' ' GLY . 5.5 p-10 -89.52 -0.6 57.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.545 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 52.51 106.91 0.01 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.451 ' OD2' ' O ' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -154.78 -22.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.614 0.245 . . . . 0.0 110.355 179.74 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.13 1.75 58.21 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.451 ' O ' ' OD2' ' A' ' 133' ' ' ASP . 7.7 mt-30 -146.95 156.3 42.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.38 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.36 122.62 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.419 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.508 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 21.3 t-20 -86.19 155.18 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.757 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -46.62 -44.33 18.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.129 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.3 -47.0 87.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.997 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.67 -39.68 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.286 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.97 -48.57 81.16 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.251 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.2 t -57.9 -47.34 86.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.268 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.27 -32.69 73.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.523 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.5 tpt -73.05 -38.7 66.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.715 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -26.31 67.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.68 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.612 ' O ' HG23 ' A' ' 148' ' ' VAL . 78.8 mtp -41.42 157.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 147' ' ' THR . 15.0 p -53.46 -24.83 13.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.45 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.792 ' O ' HG12 ' A' ' 148' ' ' VAL . 99.0 t 55.43 23.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.774 0.797 . . . . 0.0 110.425 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 . . . . . 0 C--N 1.317 -0.816 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.793 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -60.01 -44.09 94.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.242 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -63.78 -42.86 97.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.419 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.483 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 0.2 OUTLIER -61.91 -46.73 88.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.641 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.706 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 0.8 OUTLIER -62.73 -47.85 81.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.994 179.517 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.56 -39.98 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.13 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 72.3 m -60.61 -41.98 95.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.113 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.549 ' O ' HG23 ' B' ' 30' ' ' VAL . 5.8 m -60.52 -44.26 96.22 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.187 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.61 -43.33 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.616 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -65.73 -45.22 83.48 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.322 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.52 -42.93 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.234 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 26' ' ' SER . 41.9 t -60.48 -40.51 84.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.646 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.583 ' NZ ' HH22 ' B' ' 38' ' ' ARG . 28.3 tptt -62.86 -42.84 99.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.432 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -77.01 -14.81 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.965 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' B' ' 34' ' ' ALA . 52.9 ttp180 -79.02 -60.63 2.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.453 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 35.6 48.89 0.48 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.031 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -58.97 -4.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.194 0.521 . . . . 0.0 110.098 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.453 ' H ' ' C ' ' B' ' 34' ' ' ALA . 88.9 mtm180 -104.09 -0.36 28.76 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.547 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.433 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.3 OUTLIER 58.97 50.06 8.81 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.187 179.65 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.583 HH22 ' NZ ' ' B' ' 31' ' ' LYS . 24.9 mtm180 -50.1 -33.99 20.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.158 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' B' ' 39' ' ' MET . 0.6 OUTLIER -61.74 -69.63 0.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.146 0.498 . . . . 0.0 110.744 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.91 -44.41 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.472 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.55 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 56.6 m -53.1 -44.09 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.093 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -64.75 -41.03 96.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.514 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.289 -179.673 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.44 ' O ' ' OD1' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 1' ' ' ALA . 88.1 m-20 -144.13 -90.75 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.354 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.3 mt -122.56 129.4 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.188 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 mp -129.22 150.21 50.7 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.664 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -79.25 156.66 28.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.58 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 10' ' ' VAL . 98.5 mt-10 -51.71 -22.05 3.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.453 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.53 -54.63 36.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.108 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -52.06 -47.4 65.14 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.45 -47.04 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.342 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 6' ' ' GLU . 22.7 t -57.75 -46.94 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -52.39 -65.56 0.54 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.148 0.499 . . . . 0.0 109.816 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -48.64 -39.4 24.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.426 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -60.88 -39.47 89.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.76 -51.13 66.27 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.65 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.73 71.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 41.9 t80 -63.12 -48.29 79.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.328 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.49 -34.13 54.71 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.78 -44.68 76.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.975 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CE2' ' CD1' ' B' ' 37' ' ' PHE . 14.9 m-85 -59.38 -37.08 77.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.471 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.528 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 95.5 m-20 -100.1 81.54 2.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.72 -19.6 64.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.361 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' GLY . 51.8 p30 -109.97 35.03 3.53 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.811 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.67 57.73 0.01 OUTLIER Glycine 0 N--CA 1.469 0.835 0 O-C-N 123.923 0.764 . . . . 0.0 111.837 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 12.3 p-10 -83.14 -27.99 29.71 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 106.66 9.1 31.42 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 10.4 m -161.27 164.88 29.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.847 0.356 . . . . 0.0 110.445 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -112.33 114.09 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.16 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.414 ' OG1' ' OE1' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -85.43 -168.03 2.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.336 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.8 t -86.57 -44.78 16.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.448 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -64.95 -40.26 94.74 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.403 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' OE1' ' OG1' ' A' ' 28' ' ' THR . 91.5 mt-10 -62.6 -49.09 76.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.856 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.575 HD22 HD11 ' A' ' 52' ' ' ILE . 6.5 tp -62.09 -37.88 86.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.892 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB1' HH12 ' A' ' 37' ' ' ARG . . . -60.75 -48.03 83.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.281 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.8 m -56.19 -46.71 79.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.202 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' A' ' 38' ' ' SER . 95.6 t -60.3 -42.51 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.365 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.69 -43.98 99.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.561 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.523 HH12 ' HB1' ' A' ' 33' ' ' ALA . 96.6 mtm-85 -62.6 -32.06 73.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 35' ' ' VAL . 29.9 p -56.02 -30.62 62.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.221 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.8 mp -77.06 15.58 0.68 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.742 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 38' ' ' SER . 91.3 m-20 62.77 46.6 5.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.715 0.634 . . . . 0.0 110.661 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 14.5 pt20 -154.01 129.44 9.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.364 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -123.09 80.89 51.39 Favored Pre-proline 0 N--CA 1.47 0.557 0 CA-C-O 121.082 0.467 . . . . 0.0 110.829 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.21 -153.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.003 2.469 . . . . 0.0 111.608 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 t -111.17 146.41 36.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.296 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -54.14 -22.62 11.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.572 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.06 -44.9 95.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.71 -29.72 70.29 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 120.973 0.416 . . . . 0.0 110.542 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 48' ' ' LEU . 9.5 mp -76.97 -55.52 5.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -59.92 -26.27 65.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.215 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 54' ' ' GLU . 45.5 t0 -68.97 -59.0 3.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.12 -41.08 99.27 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.544 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.799 HD13 HD11 ' A' ' 63' ' ' ILE . 28.1 mm -62.63 -30.1 48.48 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.0 m -96.48 -17.9 20.22 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.017 0.437 . . . . 0.0 110.928 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 50' ' ' ASP . 50.7 tp10 -61.9 -45.91 91.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.271 -178.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 56' ' ' ASP . 5.1 p -97.81 -44.91 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.892 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.523 ' N ' HG13 ' A' ' 55' ' ' VAL . 37.1 t0 -55.79 82.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.534 -178.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.58 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.01 -67.92 0.24 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.396 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 59' ' ' GLY . 4.2 p30 -66.01 16.18 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.58 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 13.08 60.14 0.01 OUTLIER Glycine 0 C--N 1.342 0.898 0 O-C-N 124.012 0.82 . . . . 0.0 111.219 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.55 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 8.7 p-10 -81.89 -2.67 51.98 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 120.859 0.361 . . . . 0.0 110.105 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.15 2.36 71.25 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.55 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 65.6 p -139.72 146.33 39.45 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.961 0.41 . . . . 0.0 110.489 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.799 HD11 HD13 ' A' ' 52' ' ' ILE . 84.1 mt -108.66 134.54 50.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.211 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.564 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 45.6 mp0 -92.15 161.59 14.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.603 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -53.97 -45.81 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.551 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 67' ' ' GLU . 39.3 p-10 -60.47 -33.98 73.36 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.804 0.335 . . . . 0.0 110.756 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.504 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.0 mt-10 -72.98 -50.31 24.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.806 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -61.07 -44.04 97.98 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.356 0.598 . . . . 0.0 110.364 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.497 ' C ' HD23 ' A' ' 69' ' ' LEU . 2.1 tt -55.94 -61.27 2.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.222 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 10.1 t -59.81 -38.69 82.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.051 0.453 . . . . 0.0 110.832 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 tp -47.61 -46.82 28.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.0 ttm -92.1 -50.54 5.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.29 -178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.08 -33.93 63.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.118 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 70' ' ' SER . 87.2 tttt -57.47 -66.02 0.53 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.301 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -121.68 103.16 8.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 110.939 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.4 t -92.4 -103.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.733 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.62 ' CG ' ' H ' ' A' ' 78' ' ' ASP . 0.4 OUTLIER -89.12 -107.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.62 ' H ' ' CG ' ' A' ' 77' ' ' LYS . 13.4 t0 74.85 22.68 1.86 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.577 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.1 t -146.0 140.29 26.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.468 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 82' ' ' GLU . 72.4 m-20 44.45 62.51 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 80' ' ' ASP . . . -35.59 -32.14 0.02 OUTLIER 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.386 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.619 ' O ' ' N ' ' A' ' 85' ' ' LEU . 44.0 tt0 -74.01 -72.26 0.28 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.109 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 82' ' ' GLU . 81.3 tt0 -34.04 -35.73 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.288 0.566 . . . . 0.0 110.005 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' GLU . 5.5 tm-20 -69.41 -46.23 67.32 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.513 178.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.619 ' N ' ' O ' ' A' ' 82' ' ' GLU . 74.7 mt -70.6 -9.39 56.79 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.53 178.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -83.51 -50.76 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.99 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' A' ' 88' ' ' ALA . 2.6 pp20? -64.81 -35.12 80.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.537 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -62.21 -47.89 82.44 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.97 -37.47 84.92 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.077 0.465 . . . . 0.0 110.051 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -58.84 -32.08 69.09 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.343 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.75 -52.96 15.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -56.4 -43.59 79.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.867 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 96' ' ' GLN . 41.1 t0 -95.83 77.07 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.134 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -41.93 -61.33 1.15 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.972 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 38.7 p-10 -65.89 -1.76 3.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 93' ' ' ASP . 18.7 pt20 33.79 44.42 0.08 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.566 0.542 . . . . 0.0 111.009 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -82.25 1.03 38.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.127 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.89 -9.19 61.72 Favored Glycine 0 N--CA 1.461 0.348 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -130.17 135.79 48.56 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.699 0.285 . . . . 0.0 110.563 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.1 mt -89.72 112.04 23.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.0 p -83.17 157.16 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.696 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.454 ' HB2' HD13 ' A' ' 125' ' ' ILE . . . -60.67 -42.71 97.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.603 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -58.65 -43.42 89.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -69.0 -53.04 22.67 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.943 0.401 . . . . 0.0 110.352 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.0 tp -58.02 -27.46 63.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.485 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.667 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.3 ttm180 -82.06 -40.72 21.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.26 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 111' ' ' ASN . 58.8 t-80 -54.37 -56.58 17.11 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.006 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' ' 109' ' ' MET . 3.5 t -61.31 -64.44 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.502 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.516 ' C ' ' O ' ' A' ' 108' ' ' VAL . 3.6 tpt -30.1 -73.44 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.394 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.554 HG23 ' N ' ' A' ' 111' ' ' ASN . 10.7 tp -52.81 -43.29 45.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.554 ' N ' HG23 ' A' ' 110' ' ' ILE . 66.4 t30 -46.9 -13.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.787 0.327 . . . . 0.0 110.585 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.497 ' N ' ' C ' ' A' ' 110' ' ' ILE . 62.4 mt -96.25 -161.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.258 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.39 0.93 83.58 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -70.45 -173.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.772 0.32 . . . . 0.0 110.426 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.615 ' C ' HD22 ' A' ' 116' ' ' LEU . 8.5 ptpt 178.72 75.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.334 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.658 ' N ' HD22 ' A' ' 116' ' ' LEU . 3.7 mm? -103.65 156.18 17.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.836 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 121' ' ' VAL . 67.7 p -78.35 -178.17 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.563 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -73.65 -30.82 63.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.018 0.437 . . . . 0.0 110.661 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 119' ' ' GLU . 58.1 mp0 -76.14 -41.15 50.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -65.99 -42.31 89.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.667 HG11 ' HE ' ' A' ' 106' ' ' ARG . 62.6 t -63.09 -49.3 83.92 Favored 'Isoleucine or valine' 0 C--O 1.246 0.869 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.35 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.36 -28.55 68.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.171 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 123' ' ' GLN . 0.1 OUTLIER -67.41 -53.06 32.52 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.708 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.4 ' HE3' ' CD1' ' B' ' 23' ' ' TRP . 26.4 ttt -50.97 -59.07 4.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.819 0.343 . . . . 0.0 110.647 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.454 HD13 ' HB2' ' A' ' 102' ' ' ALA . 10.0 tt -54.35 -37.11 36.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.631 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.94 -44.92 87.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.762 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.36 -46.54 66.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.672 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -58.17 -25.77 61.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.516 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 47.9 t0 -98.04 103.11 15.02 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.933 0.397 . . . . 0.0 110.016 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.591 ' N ' HD12 ' A' ' 130' ' ' LEU . 10.2 mp -62.0 -49.1 77.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 2.8 p30 -77.46 -5.23 49.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.654 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 46.38 44.06 15.25 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.538 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.526 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 57.7 m-20 -69.25 -7.53 37.68 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.45 -3.28 53.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -152.99 176.27 12.05 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 120.854 0.359 . . . . 0.0 110.365 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.5 t -124.3 125.78 71.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.951 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -90.97 156.28 18.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.732 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -48.67 -42.76 35.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.193 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.98 -48.67 80.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.919 0.39 . . . . 0.0 110.247 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.2 -40.72 98.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -61.09 -49.7 76.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.974 0.416 . . . . 0.0 110.583 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.15 -43.97 94.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.258 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.406 ' O ' ' OG1' ' A' ' 147' ' ' THR . 32.5 ttpt -62.28 -35.89 80.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.265 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.482 ' O ' ' SD ' ' A' ' 144' ' ' MET . 0.4 OUTLIER -72.81 -30.0 63.71 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.938 0.399 . . . . 0.0 111.129 179.55 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 92.2 mmm -89.46 -29.01 19.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.54 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 87.7 mmm -108.34 48.86 0.83 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.94 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.612 ' C ' ' H ' ' A' ' 149' ' ' ARG . 10.2 m -165.42 -76.85 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.486 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.9 t 65.54 -33.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.986 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.612 ' H ' ' C ' ' A' ' 147' ' ' THR . 96.9 mtt180 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.447 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -62.02 -38.96 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.444 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.82 -39.81 87.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.364 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -62.01 -39.77 93.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.031 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.672 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 2.0 m95 -63.05 -51.93 64.76 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.288 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -65.24 -34.34 78.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.104 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.5 t -60.4 -45.79 92.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.481 ' OG ' ' SD ' ' A' ' 109' ' ' MET . 16.3 m -59.82 -46.43 89.24 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.609 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 90.1 t -68.82 -42.55 82.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.524 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 63.8 p -64.28 -40.45 95.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' B' ' 33' ' ' ARG . 51.5 mt -61.95 -42.83 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.275 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.86 -44.4 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.154 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -76.63 -25.28 53.64 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.747 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -90.98 -13.69 32.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.118 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' B' ' 35' ' ' ARG . 69.3 ttt180 -109.49 -47.52 3.37 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.424 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.542 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 63.37 -66.54 0.1 Allowed 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 123.275 0.36 . . . . 0.0 110.497 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' B' ' 33' ' ' ARG . 67.9 ttp85 68.45 -37.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.425 0.453 . . . . 0.0 110.395 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.542 ' H ' ' C ' ' B' ' 34' ' ' ALA . 87.0 mtt180 -97.71 -6.36 33.16 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.692 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.522 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER 66.0 57.37 0.8 Allowed 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 121.006 0.431 . . . . 0.0 110.358 179.379 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 38' ' ' ARG . 36.8 mtp-105 -46.96 -39.47 12.45 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.911 0.386 . . . . 0.0 110.421 -178.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -66.64 -67.96 0.41 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.49 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 93.7 mt -60.79 -42.85 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.115 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' B' ' 37' ' ' PHE . 87.8 p -51.46 -45.37 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.119 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -63.01 -42.08 99.74 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.618 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.556 HD22 ' N ' ' B' ' 43' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.216 -0.671 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.721 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -140.95 147.71 39.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.478 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.2 mt -83.32 -63.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.343 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 177.46 79.14 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.327 0.584 . . . . 0.0 110.521 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -81.72 150.4 28.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.495 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 10' ' ' VAL . 97.2 mt-10 -54.88 -23.3 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.402 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -59.93 -28.06 67.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.245 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -76.32 -52.73 9.36 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.12 -39.95 84.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.056 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 6' ' ' GLU . 41.5 t -61.79 -49.48 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.196 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.554 ' CG ' ' HE ' ' B' ' 33' ' ' ARG . 50.7 t0 -51.98 -51.73 55.29 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.244 0.545 . . . . 0.0 110.069 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -61.83 -37.26 83.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.278 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -57.93 -41.78 83.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.186 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.07 -47.86 82.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.043 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.31 82.3 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.338 0.589 . . . . 0.0 110.278 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.44 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 18.9 t80 -59.01 -46.48 88.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.329 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.92 -38.55 65.38 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.32 -44.39 96.61 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.239 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.501 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 21.6 m-85 -70.52 -40.34 73.54 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.862 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 11.4 t0 -92.5 81.99 4.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.536 ' NZ ' ' CG2' ' A' ' 35' ' ' VAL . 3.5 mptp? -59.24 -42.18 90.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.264 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 23' ' ' GLY . 2.8 p30 -92.16 32.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.525 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.74 57.5 0.01 OUTLIER Glycine 0 N--CA 1.473 1.151 0 O-C-N 123.63 0.581 . . . . 0.0 111.761 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 22' ' ' ASP . 57.9 m-20 -78.28 -28.6 47.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.457 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.421 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 110.51 11.89 18.41 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 11.6 m -160.0 164.35 33.35 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.308 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.8 mt -116.42 126.6 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.963 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.509 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -100.82 -165.17 1.18 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 -179.778 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.509 ' H ' HG22 ' A' ' 28' ' ' THR . 80.9 t -90.0 -38.83 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.825 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -67.85 -39.0 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -69.14 -51.15 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.95 0.405 . . . . 0.0 110.061 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 19' ' ' PHE . 6.0 tp -61.63 -36.25 80.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.177 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.97 98.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.144 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.8 m -59.2 -51.4 70.13 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.972 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.536 ' CG2' ' NZ ' ' A' ' 21' ' ' LYS . 79.4 t -61.38 -43.12 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.085 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.9 mt -60.15 -44.54 95.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -65.53 -21.73 66.64 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.983 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -94.59 19.69 9.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.332 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -109.19 10.87 25.75 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.45 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 3.1 t70 77.88 23.33 0.78 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.421 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -152.62 154.74 35.97 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -135.63 77.93 50.95 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -65.61 154.85 71.96 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 123.178 2.585 . . . . 0.0 111.732 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.1 t -67.62 141.76 56.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.386 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.53 -34.36 72.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.431 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -54.03 -56.78 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.473 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.492 ' H ' HG23 ' A' ' 44' ' ' THR . 82.8 tt0 -66.23 -34.62 78.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.919 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' C ' HD23 ' A' ' 48' ' ' LEU . 4.4 tt -61.4 -53.22 59.42 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.039 0.447 . . . . 0.0 110.443 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.69 -37.89 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.41 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -66.69 -41.9 87.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.688 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -61.13 -45.81 93.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.785 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.53 -41.77 91.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.1 p -65.78 -33.86 76.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.01 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -59.5 -40.65 87.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.733 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.466 HG21 HD13 ' A' ' 71' ' ' LEU . 84.7 t -87.34 -37.73 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.546 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 36.0 t0 -76.31 94.4 3.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.525 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -42.53 -63.51 0.76 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.47 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' O ' ' C ' ' A' ' 59' ' ' GLY . 4.6 p30 -69.08 12.63 0.14 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 11.59 60.29 0.01 OUTLIER Glycine 0 N--CA 1.476 1.328 0 O-C-N 124.245 0.966 . . . . 0.0 111.218 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.82 ' ND2' ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -87.12 -9.36 55.5 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.696 0.284 . . . . 0.0 110.394 -179.039 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.66 ' N ' HD22 ' A' ' 60' ' ' ASN . . . 94.3 5.38 62.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.82 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 20.7 p -133.89 128.03 33.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.76 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.6 mt -94.9 117.78 39.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.992 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -83.01 158.76 22.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.341 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.408 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 22.9 t80 -45.59 -55.23 6.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.022 0.439 . . . . 0.0 110.625 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -53.37 -36.2 61.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.916 0.389 . . . . 0.0 110.754 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -73.47 -43.89 59.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -59.49 -47.95 83.53 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.272 0.558 . . . . 0.0 110.493 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 73' ' ' ALA . 10.8 mp -62.63 -46.98 85.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.41 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.5 p -55.75 -44.9 78.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.765 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.466 HD13 HG21 ' A' ' 55' ' ' VAL . 28.3 tp -50.86 -58.84 4.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.919 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.6 mtt -79.17 -45.75 19.31 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.879 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 69' ' ' LEU . . . -47.43 -30.3 3.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.75 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -53.39 -70.62 0.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.789 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 76' ' ' VAL . 19.3 pttp 176.34 69.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 77' ' ' LYS . 9.9 p -38.1 157.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.996 0.427 . . . . 0.0 110.173 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.494 ' N ' HG22 ' A' ' 76' ' ' VAL . 6.0 tppt? -119.9 -39.81 2.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.29 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.531 ' CG ' ' HE ' ' B' ' 38' ' ' ARG . 12.2 t0 83.58 -69.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.582 0.551 . . . . 0.0 110.544 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.8 -72.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.464 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -153.53 166.48 32.59 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.672 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.3 36.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.961 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.589 ' O ' ' N ' ' A' ' 85' ' ' LEU . 95.5 mt-10 -72.28 -68.34 0.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.379 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLU . 60.9 mm-40 -34.76 -39.25 0.09 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.616 0.722 . . . . 0.0 109.985 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -69.33 -46.85 66.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.073 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' A' ' 82' ' ' GLU . 42.2 mt -62.32 -13.8 32.58 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 110.332 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -83.06 -46.58 12.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.572 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.35 -45.86 91.97 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.21 -49.55 75.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.675 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -58.9 -41.62 87.66 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.934 0.397 . . . . 0.0 110.439 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -59.58 -36.51 76.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.386 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.0 t -72.7 -60.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.141 0.496 . . . . 0.0 110.284 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -49.75 -42.12 45.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' A' ' 96' ' ' GLN . 26.2 t0 -88.62 58.86 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.045 179.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' NZ ' ' CD2' ' A' ' 107' ' ' HIS . 53.1 mtpt -39.38 -58.58 1.21 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 5.4 p30 -63.41 -13.38 39.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.654 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 93' ' ' ASP . 74.4 mt-30 48.57 69.08 0.6 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.507 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.462 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 10.3 m120 -107.83 -1.72 20.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.315 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.36 2.09 62.13 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.462 ' CE1' ' O ' ' A' ' 97' ' ' ASN . 1.1 m-85 -145.47 150.69 36.95 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.9 mt -96.98 111.0 26.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 p -84.05 154.73 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.107 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.6 -44.24 80.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.1 p -61.23 -44.82 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.94 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.446 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 37.4 mt-10 -61.31 -53.63 54.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.099 0.476 . . . . 0.0 109.987 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.6 tp -62.35 -21.5 65.36 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.26 0.552 . . . . 0.0 110.429 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.593 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.1 ttm180 -83.3 -40.71 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.983 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.543 ' C ' ' HD1' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -56.91 -52.47 65.05 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 112' ' ' LEU . 10.8 t -60.82 -64.46 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.25 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -32.57 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.532 0.52 . . . . 0.0 111.16 -179.015 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.583 HG23 ' N ' ' A' ' 111' ' ' ASN . 10.8 tp -53.22 -44.93 54.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.788 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.583 ' N ' HG23 ' A' ' 110' ' ' ILE . 55.7 t30 -69.23 -8.7 48.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.487 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 108' ' ' VAL . 11.1 tp -86.92 18.01 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.825 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.76 -10.71 37.49 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -86.04 141.96 29.09 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.488 ' C ' HD22 ' A' ' 116' ' ' LEU . 24.5 mtmm -104.49 94.31 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.642 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.493 HD11 ' NE ' ' B' ' 22' ' ' ARG . 3.9 mm? -108.66 130.58 55.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.252 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.7 p -68.66 172.57 6.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.236 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 45.4 p-10 -72.33 -34.24 67.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -68.8 -39.54 80.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.588 179.76 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.498 ' OE1' ' NH1' ' B' ' 22' ' ' ARG . 6.9 mm-40 -63.61 -46.14 87.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.174 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.593 HG11 ' HE ' ' A' ' 106' ' ' ARG . 71.3 t -62.52 -47.12 94.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.47 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.64 -22.74 67.05 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.352 0.596 . . . . 0.0 110.383 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -75.45 -57.88 3.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.112 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.546 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 10.1 ttp -55.12 -48.89 73.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.489 HG23 ' N ' ' A' ' 126' ' ' LYS . 4.4 tp -58.8 -42.38 85.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.494 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.489 ' N ' HG23 ' A' ' 125' ' ' ILE . 55.4 mttp -69.13 -37.82 78.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.237 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -79.02 -61.95 1.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.195 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -45.19 -30.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.61 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 41.5 t0 -87.28 118.0 26.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.45 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.96 ' H ' HD22 ' A' ' 130' ' ' LEU . 1.3 mm? -65.95 -48.43 71.35 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.461 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 13.3 p-10 -92.97 -5.42 50.74 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.091 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.53 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 67.43 -125.65 23.98 Favored Glycine 0 C--O 1.225 -0.411 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 132' ' ' GLY . 1.7 m-20 79.73 8.95 1.57 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.765 0.317 . . . . 0.0 110.492 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.41 13.19 49.1 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.452 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 9.4 tt0 -144.72 136.73 25.96 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.7 t -113.2 126.44 70.62 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.206 0.527 . . . . 0.0 110.431 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -91.84 150.0 21.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.569 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.472 ' CE2' HG21 ' A' ' 142' ' ' VAL . 58.9 t80 -44.64 -40.32 5.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.298 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.47 -51.45 69.81 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.414 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.443 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 91.0 mt-10 -60.88 -39.68 90.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.059 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -59.23 -50.98 71.95 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.688 0.756 . . . . 0.0 110.093 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.472 HG21 ' CE2' ' A' ' 138' ' ' TYR . 54.3 t -56.75 -42.32 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.772 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 147' ' ' THR . 50.6 mttm -56.27 -38.3 70.99 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.648 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.9 ttt -62.64 -40.35 96.74 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.97 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 16.0 mmm -78.9 -15.19 58.65 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.581 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.5 ' O ' ' OG1' ' A' ' 147' ' ' THR . 53.8 mtt -132.17 32.32 4.01 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.312 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.55 ' N ' ' O ' ' A' ' 143' ' ' LYS . 1.3 m 158.92 105.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.853 0.721 . . . . 0.0 110.239 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.47 HG21 ' HE ' ' B' ' 20' ' ' ARG . 93.4 t -80.63 -67.39 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.26 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 . . . . . 0 C--N 1.324 -0.523 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.85 -179.633 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.47 ' HE ' HG21 ' A' ' 148' ' ' VAL . 74.6 ttt-85 -59.51 -47.37 85.8 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.128 0.49 . . . . 0.0 110.586 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -68.0 -36.28 79.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.352 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.498 ' NH1' ' OE1' ' A' ' 120' ' ' GLU . 34.6 ttm180 -61.96 -44.43 96.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.546 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 0.5 OUTLIER -60.14 -47.91 83.92 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.367 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -65.86 -34.57 78.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.705 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.0 t -61.83 -44.44 96.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.834 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.552 ' O ' HG23 ' B' ' 30' ' ' VAL . 20.4 p -61.18 -42.83 99.27 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.148 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -68.89 -42.11 82.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.401 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 68.1 p -67.46 -45.95 74.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.247 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.64 -41.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 26' ' ' SER . 26.7 t -60.62 -44.43 96.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.031 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -62.66 -40.07 95.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.234 -0.586 . . . . 0.0 109.96 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.56 -38.28 80.63 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.343 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.554 ' HE ' ' CG ' ' A' ' 11' ' ' ASP . 2.6 ttm180 -64.4 -43.64 93.8 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.824 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 40.06 61.45 1.5 Allowed 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -74.87 29.42 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.188 0.518 . . . . 0.0 109.964 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' B' ' 34' ' ' ALA . 25.7 ttm180 -148.93 -7.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.124 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.479 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.3 m-85 67.09 51.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.322 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.531 ' HE ' ' CG ' ' A' ' 78' ' ' ASP . 43.6 mtm-85 -50.35 -36.43 32.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.412 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 7.7 tpt -62.97 -70.27 0.22 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 110.932 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.413 HD13 HD11 ' A' ' 32' ' ' LEU . 69.5 mt -62.82 -43.33 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.607 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 35.4 t -53.55 -45.54 69.91 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.224 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.82 -40.28 94.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.267 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.499 ' N ' HD12 ' B' ' 43' ' ' LEU . 11.2 mp . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.238 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.583 ' CG ' ' H ' ' A' ' 3' ' ' ILE . 16.5 p-10 -160.1 -95.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.678 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.583 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 41.1 mm -59.28 -56.6 15.99 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.487 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.4 ' CB ' ' O ' ' A' ' 3' ' ' ILE . 1.0 OUTLIER 166.83 78.46 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 O-C-N 123.747 0.654 . . . . 0.0 110.637 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -72.91 161.48 30.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.795 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.527 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 42.0 mp0 -55.97 -22.06 24.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.402 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.2 -54.62 38.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 4.9 mp0 -48.54 -39.29 22.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.585 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.5 mp -69.66 -43.22 80.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.357 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.7 t -61.63 -49.85 82.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.17 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.02 -48.87 78.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.021 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.8 -42.29 88.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.359 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -64.74 -35.12 80.03 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.415 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.66 -49.53 77.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.258 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' HB1' ' HE1' ' B' ' 37' ' ' PHE . . . -62.43 -37.08 84.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -60.11 -51.1 71.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.581 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.69 -31.14 74.24 Favored Glycine 0 N--CA 1.453 -0.172 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.64 -52.61 62.65 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.242 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.605 ' CE1' HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -60.39 -29.97 69.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.971 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -94.76 81.55 3.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.624 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -73.4 -16.16 61.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.616 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 1.9 p30 -112.63 26.99 10.02 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.741 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 21.75 61.49 0.02 OUTLIER Glycine 0 C--N 1.34 0.753 0 O-C-N 123.785 0.678 . . . . 0.0 111.897 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 53.1 m-20 -89.91 -27.65 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.102 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.13 -1.98 28.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.4 p -159.96 165.91 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.626 0.25 . . . . 0.0 110.379 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 52.8 mt -109.55 111.8 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -80.37 -168.06 1.56 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 -179.629 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.459 ' H ' HG22 ' A' ' 28' ' ' THR . 67.9 t -81.4 -50.23 16.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.39 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -62.1 -45.01 95.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.172 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -53.79 -48.06 70.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.652 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.605 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.6 tp -61.91 -41.86 98.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.496 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.25 -51.95 66.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.359 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.4 m -56.18 -47.86 77.47 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.053 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.541 HG11 ' CE1' ' A' ' 19' ' ' PHE . 72.2 t -61.83 -44.08 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.113 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 40' ' ' ASP . 66.6 mt -62.36 -42.94 97.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.204 179.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.519 ' O ' ' O ' ' A' ' 40' ' ' ASP . 61.1 ttm-85 -51.55 -57.64 8.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.051 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 t -62.72 -40.79 98.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.955 0.407 . . . . 0.0 110.106 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 37.5 tp -77.22 -3.49 39.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.982 0.896 . . . . 0.0 110.026 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 36' ' ' ILE . 29.5 t0 -158.12 -140.97 0.08 Allowed 'General case' 0 C--N 1.311 -1.072 0 O-C-N 121.51 -0.744 . . . . 0.0 110.589 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.507 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 97.9 mm-40 -107.69 -87.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.143 0.497 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -168.76 63.23 0.53 Allowed Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.758 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.91 140.42 66.48 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.58 2.186 . . . . 0.0 111.65 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 47' ' ' GLU . 6.1 t -51.23 133.53 28.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.204 0.526 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -52.14 -19.75 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.431 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -61.69 -44.94 95.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.722 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' H ' HG23 ' A' ' 44' ' ' THR . 80.6 tt0 -67.0 -30.76 70.96 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.375 0.607 . . . . 0.0 110.455 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.492 HD22 HD13 ' A' ' 36' ' ' ILE . 15.6 mt -75.71 -45.78 34.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.975 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -69.06 -23.68 64.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.091 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.49 -57.01 6.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.577 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -66.58 -37.65 85.36 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.682 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.671 ' CD1' HD11 ' A' ' 63' ' ' ILE . 5.7 mm -72.46 -13.11 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.727 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -91.75 -36.05 13.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.145 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.6 -40.09 96.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.993 0.425 . . . . 0.0 111.367 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.9 t -84.52 -11.74 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.94 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -80.2 99.38 7.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.695 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.77 3.97 46.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.764 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -129.14 21.61 5.74 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.825 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.1 39.47 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.582 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 52.0 p-10 -87.76 -27.23 22.47 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 121.2 -0.2 . . . . 0.0 110.636 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 87.09 9.13 74.17 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.483 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 22.4 p -134.11 160.75 36.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.916 0.388 . . . . 0.0 110.463 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.671 HD11 ' CD1' ' A' ' 52' ' ' ILE . 70.5 mt -109.59 131.12 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.084 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.556 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 52.6 mp0 -107.22 160.04 15.89 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.221 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -44.68 -48.56 10.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.694 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.544 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 15.5 p-10 -60.85 -34.7 75.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.067 0.46 . . . . 0.0 110.298 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HB2' ' H ' ' A' ' 64' ' ' GLU . 92.6 mt-10 -77.27 -43.61 32.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.592 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.4 -45.61 93.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.865 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.8 tt -62.39 -46.35 89.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.182 0.515 . . . . 0.0 109.938 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.2 t -60.67 -41.61 95.41 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.212 0.529 . . . . 0.0 110.8 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.8 tp -56.71 -53.12 61.37 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.462 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.517 ' O ' ' O ' ' A' ' 75' ' ' LYS . 11.2 mmt -70.79 -38.81 73.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.9 -32.02 8.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.523 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -81.12 -40.2 24.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.631 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.517 ' O ' ' O ' ' A' ' 72' ' ' MET . 13.6 mptt -88.43 144.84 26.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.036 0.446 . . . . 0.0 109.886 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 t 68.43 40.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.504 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -158.38 109.76 2.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.898 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 77.57 21.44 1.0 Allowed 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.79 0.681 . . . . 0.0 110.453 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 70.8 p -62.42 -83.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.675 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.409 ' N ' ' OG1' ' A' ' 79' ' ' THR . 27.1 t70 -175.03 149.68 1.12 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.389 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.51 -54.87 14.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.737 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -54.56 -20.78 8.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.648 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -79.0 -58.14 3.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.164 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.51 -35.21 77.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.42 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.72 -41.85 95.67 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -80.91 -39.41 26.31 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.262 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 91' ' ' VAL . 9.8 tm-20 -61.19 -39.66 91.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.23 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.95 -59.1 4.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.834 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -55.03 -31.82 61.39 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.353 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -64.0 -39.91 95.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.428 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 87' ' ' GLU . 90.4 t -73.54 -47.32 45.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.134 0.493 . . . . 0.0 111.126 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -63.4 -49.37 74.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.695 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.428 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 21.5 t0 -77.37 62.03 2.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.978 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -43.92 -58.39 2.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.405 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 0.5 OUTLIER -71.36 3.68 3.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 111.005 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.408 ' HB3' HE21 ' A' ' 96' ' ' GLN . 9.1 mm100 46.09 25.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.016 0.436 . . . . 0.0 110.579 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.3 p-10 -65.71 -7.04 13.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.78 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.428 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 88.46 -0.09 82.8 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -136.7 140.9 43.01 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.8 mt -95.84 117.83 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.091 0.472 . . . . 0.0 110.073 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 t -88.19 145.98 25.62 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.77 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.11 -45.93 44.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.225 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.5 t -59.86 -43.17 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 110.38 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 44.3 mt-10 -63.83 -51.04 66.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.169 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 105' ' ' LEU . 2.4 tp -65.61 -26.85 68.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.896 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.525 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.6 ttm180 -78.34 -44.03 26.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.099 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -55.93 -49.7 72.77 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.588 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 109' ' ' MET . 55.1 t -62.88 -62.38 1.21 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.914 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -31.72 -71.17 0.06 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.799 0.333 . . . . 0.0 110.984 -178.862 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.58 HG23 ' N ' ' A' ' 111' ' ' ASN . 16.6 tt -53.14 -44.3 51.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.533 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.58 ' N ' HG23 ' A' ' 110' ' ' ILE . 62.2 t30 -48.23 -11.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.634 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.553 ' O ' ' NH2' ' B' ' 33' ' ' ARG . 74.9 mt -86.97 12.9 10.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.222 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.03 5.48 75.92 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -93.33 138.25 31.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.811 0.339 . . . . 0.0 110.432 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -84.58 93.43 8.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.413 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.471 ' N ' HD22 ' A' ' 116' ' ' LEU . 4.3 mm? -97.61 129.97 44.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.446 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.7 p -90.86 162.14 14.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.246 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.77 -33.97 77.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.342 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.16 -47.44 74.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.614 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.0 -43.71 95.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.577 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.525 HG11 ' HE ' ' A' ' 106' ' ' ARG . 90.1 t -62.36 -43.83 98.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.576 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -67.26 -24.41 65.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.542 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.15 -59.19 2.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.052 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.623 ' SD ' ' N ' ' A' ' 125' ' ' ILE . 3.7 ppp? -58.06 -43.47 86.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.623 ' N ' ' SD ' ' A' ' 124' ' ' MET . 3.5 tp -62.8 -36.96 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-O 121.084 0.469 . . . . 0.0 110.174 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -63.67 -39.59 94.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.231 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -75.49 -46.49 32.04 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.491 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -61.47 -39.99 92.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.081 0.467 . . . . 0.0 110.278 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 54.0 t0 -79.23 105.82 10.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.075 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.82 -43.3 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.191 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 10.0 p30 -89.12 1.96 54.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.633 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 45.4 33.51 4.33 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.511 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.1 p-10 -71.21 -11.23 60.82 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.617 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.28 6.28 57.74 Favored Glycine 0 N--CA 1.465 0.586 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -148.8 160.35 43.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.837 0.351 . . . . 0.0 110.348 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.11 125.49 72.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.367 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 1.3 m-20 -91.42 172.92 8.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.315 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -59.43 -40.34 86.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.421 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -60.29 -54.48 45.18 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.048 0.451 . . . . 0.0 110.698 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -60.45 -34.85 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.262 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.45 -46.46 89.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.65 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.6 t -59.8 -45.65 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.261 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -59.92 -38.03 81.16 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.808 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 74.9 mmm -67.91 -30.39 69.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.15 0.5 . . . . 0.0 110.381 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.7 mmt -74.09 -29.34 61.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.197 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.507 ' O ' HG23 ' A' ' 148' ' ' VAL . 94.2 mmm -56.84 167.52 0.77 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.8 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 149' ' ' ARG . 0.0 OUTLIER -46.78 -51.39 16.48 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.377 -179.314 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 146' ' ' MET . 68.5 t 61.48 -66.88 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 O-C-N 123.853 0.72 . . . . 0.0 111.333 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 147' ' ' THR . 28.1 ptt-85 . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 117.809 -1.091 . . . . 0.0 110.699 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.416 ' H ' ' HG2' ' B' ' 20' ' ' ARG . 7.2 ptm180 -60.14 -36.53 77.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.318 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -64.84 -41.65 95.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.542 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -62.36 -38.6 90.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.491 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 3.0 m95 -66.45 -51.08 60.67 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-O 121.204 0.526 . . . . 0.0 110.136 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -65.82 -36.81 84.55 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.145 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 68.9 m -60.19 -44.47 95.08 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.111 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -60.16 -44.35 95.07 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.231 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.466 ' O ' HG12 ' B' ' 30' ' ' VAL . 96.2 t -70.66 -41.06 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.466 0.65 . . . . 0.0 110.523 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.0 p -71.22 -36.61 71.93 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.079 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 57.2 mt -66.3 -44.07 91.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.562 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.466 HG12 ' O ' ' B' ' 27' ' ' VAL . 0.3 OUTLIER -63.47 -36.67 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 C-N-CA 120.496 -0.481 . . . . 0.0 109.895 -179.003 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -69.98 -47.19 63.23 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.644 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -69.53 -34.67 74.57 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.042 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.553 ' NH2' ' O ' ' A' ' 112' ' ' LEU . 49.9 ttm-85 -60.9 -52.16 66.21 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.498 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 22.66 48.41 0.01 OUTLIER 'General case' 0 C--N 1.349 0.553 0 O-C-N 124.13 0.894 . . . . 0.0 111.255 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' B' ' 33' ' ' ARG . 70.8 ttt-85 -55.15 -8.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.145 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' B' ' 34' ' ' ALA . 10.4 ptp85 -111.22 8.34 21.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.823 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.503 ' HE1' ' HB1' ' A' ' 15' ' ' ALA . 2.4 m-85 47.36 78.69 0.07 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.256 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -59.95 -32.91 71.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.398 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.427 ' O ' ' N ' ' B' ' 43' ' ' LEU . 6.5 tpt -68.12 -60.63 2.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.25 0.548 . . . . 0.0 110.702 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.41 -42.57 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.353 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 46.8 t -58.59 -44.02 89.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.337 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.524 ' O ' ' C ' ' B' ' 43' ' ' LEU . 25.2 t-20 -90.06 -6.38 55.57 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 118.784 -0.627 . . . . 0.0 111.211 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 117.588 -1.196 . . . . 0.0 111.353 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -99.85 116.31 31.63 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.945 HG23 ' H ' ' A' ' 4' ' ' LEU . 13.1 tt -172.81 -67.6 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.958 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.693 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.945 ' H ' HG23 ' A' ' 3' ' ' ILE . 0.6 OUTLIER 41.7 126.57 0.0 OUTLIER 'General case' 0 C--N 1.35 0.594 0 O-C-N 125.249 1.593 . . . . 0.0 111.566 -179.184 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 m -130.36 -171.37 2.53 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 120.759 -1.213 . . . . 0.0 110.24 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.579 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 43.2 mp0 -55.77 -27.27 50.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.279 -179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 7' ' ' GLU . 46.8 mp0 -49.44 -61.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.989 0.423 . . . . 0.0 110.376 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -49.15 -45.77 44.25 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.789 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.53 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.3 mp -64.64 -41.22 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.213 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 6' ' ' GLU . 23.4 t -58.91 -49.51 82.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.949 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.58 -52.26 65.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.277 0.561 . . . . 0.0 110.144 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -62.48 -43.63 98.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.921 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -60.56 -36.01 77.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.387 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -60.45 -51.08 71.01 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.874 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.05 78.2 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.272 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.26 -49.3 76.5 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.168 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.09 -36.96 57.6 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.63 -49.55 76.12 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.535 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.551 ' CD1' HD12 ' A' ' 32' ' ' LEU . 3.4 m-85 -60.28 -38.06 82.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.263 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 53.1 t0 -96.35 76.53 2.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -61.32 -38.28 86.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.165 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 23' ' ' GLY . 21.4 p-10 -86.15 32.0 0.63 Allowed 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.82 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.512 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 13.76 60.13 0.01 OUTLIER Glycine 0 C--N 1.351 1.393 0 O-C-N 124.179 0.924 . . . . 0.0 111.555 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 50.9 p-10 -88.49 -26.41 22.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 110.369 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.516 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.65 14.03 15.14 Favored Glycine 0 N--CA 1.467 0.721 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.5 p -166.32 170.25 13.29 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.44 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -113.92 115.94 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -83.94 -177.91 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.15 0.5 . . . . 0.0 110.972 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -81.49 -47.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.562 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.94 -42.71 97.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 42.0 mt-10 -61.62 -47.13 86.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.473 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.551 HD12 ' CD1' ' A' ' 19' ' ' PHE . 6.0 tp -59.89 -37.62 79.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.107 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.91 79.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.653 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.2 m -60.44 -46.23 90.79 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.237 0.542 . . . . 0.0 110.529 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.71 -45.44 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.363 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' ASP . 78.7 mt -57.09 -42.43 79.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.686 -0.406 . . . . 0.0 109.932 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -66.83 -23.41 66.04 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.188 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.4 p -74.13 -39.3 63.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.065 0.46 . . . . 0.0 110.859 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 1.6 pp -95.03 14.73 20.88 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.875 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 13.2 t0 87.7 165.36 0.07 Allowed 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 123.878 0.736 . . . . 0.0 109.319 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 27.4 tt0 86.03 133.61 0.04 OUTLIER 'General case' 0 C--O 1.225 -0.192 0 O-C-N 123.84 0.712 . . . . 0.0 109.982 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -132.2 74.51 76.16 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -76.46 149.04 30.47 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.467 HG23 ' H ' ' A' ' 47' ' ' GLU . 9.6 t -58.44 142.97 47.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.158 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 6.0 pm0 -58.84 -26.7 64.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.43 -42.93 74.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.561 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.467 ' H ' HG23 ' A' ' 44' ' ' THR . 95.8 mt-10 -69.82 -28.7 65.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.545 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt -74.94 -50.29 17.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.027 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -64.33 -37.3 87.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.258 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -65.0 -45.63 84.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.405 ' O ' HG12 ' A' ' 55' ' ' VAL . 41.9 ttm -57.84 -48.8 78.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.954 0.407 . . . . 0.0 110.283 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.54 -42.63 90.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 t -64.57 -43.57 93.46 Favored 'General case' 0 C--N 1.316 -0.871 0 O-C-N 124.016 0.823 . . . . 0.0 111.074 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -58.5 -41.68 85.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.291 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.6 p -109.16 44.72 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.068 0.461 . . . . 0.0 110.72 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -101.13 107.86 19.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.771 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.408 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . . . -86.07 -14.75 43.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.76 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 60' ' ' ASN . 2.9 m-20 -121.43 14.37 11.14 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.53 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.54 26.79 0.01 OUTLIER Glycine 0 C--N 1.343 0.931 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' A' ' 58' ' ' ASP . 19.5 p-10 -82.23 -33.2 29.39 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.795 -178.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.52 9.97 24.26 Favored Glycine 0 N--CA 1.466 0.674 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.524 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 7.1 p -138.53 156.17 47.75 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.915 0.388 . . . . 0.0 110.39 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.7 mt -95.02 123.86 47.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.279 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -86.64 159.92 19.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.916 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -45.82 -51.62 12.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 110.497 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -60.11 -37.3 79.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.881 0.372 . . . . 0.0 110.152 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.408 ' OE2' ' HB3' ' A' ' 57' ' ' ALA . 98.0 mt-10 -71.5 -49.58 39.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.799 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -56.78 -44.45 81.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.145 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 69' ' ' LEU . 5.6 tt -61.28 -50.85 71.37 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.552 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.4 m -62.38 -43.54 98.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.06 0.457 . . . . 0.0 110.825 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.8 tt -55.21 -52.82 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 -178.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -37.52 81.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.925 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.08 -28.16 37.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.572 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -71.84 -53.0 14.65 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.998 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 76' ' ' VAL . 1.7 tttp -43.85 -82.29 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.6 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.505 ' C ' ' O ' ' A' ' 75' ' ' LYS . 21.7 t -4.89 119.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 O-C-N 124.846 1.341 . . . . 0.0 111.201 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.481 ' HB3' ' H ' ' A' ' 78' ' ' ASP . 3.3 mmtm 171.8 -117.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.507 0.504 . . . . 0.0 109.654 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 80' ' ' ASP . 64.5 t0 -173.48 -92.17 0.01 OUTLIER 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 3.1 p 63.74 -57.5 0.2 Allowed 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.256 0.348 . . . . 0.0 110.997 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 78' ' ' ASP . 94.5 m-20 -90.0 108.72 19.89 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.31 0.576 . . . . 0.0 110.664 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.07 -55.61 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.224 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 80.2 mm-40 -55.19 -22.86 19.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -77.12 -60.44 2.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -66.94 -35.11 79.24 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.684 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.565 HD21 HG22 ' A' ' 142' ' ' VAL . 12.2 tp -65.89 -40.64 91.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.082 0.468 . . . . 0.0 110.968 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 69.0 mmtt -82.6 -47.34 12.21 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.052 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -57.8 -42.41 84.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.091 0.472 . . . . 0.0 109.814 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.75 -55.02 38.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.707 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -62.64 -27.91 69.54 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.411 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.11 -41.7 94.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.8 t -76.31 -44.86 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.013 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.4 -48.87 79.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.141 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 96' ' ' GLN . 39.2 t0 -85.5 60.49 6.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.732 -0.387 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -41.33 -56.96 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.444 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.475 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -66.96 -6.56 17.26 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.802 -179.301 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 93' ' ' ASP . 29.9 mm100 43.96 48.62 7.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.685 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -87.78 -3.46 58.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.357 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.97 -0.75 60.72 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 13.3 m-85 -144.19 149.06 35.82 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 120.669 0.271 . . . . 0.0 110.601 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.0 mt -95.41 111.36 25.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.69 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.7 m -84.53 147.96 26.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.74 45.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.369 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.3 t -58.61 -41.67 86.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.387 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.475 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 51.4 mt-10 -65.05 -51.65 60.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.422 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.7 tp -66.78 -27.16 67.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.379 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.522 ' NH2' ' OD1' ' A' ' 118' ' ' ASP . 72.9 ttt180 -80.44 -42.17 23.14 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -57.86 -50.0 74.77 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.922 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 109' ' ' MET . 47.2 t -62.67 -63.06 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.716 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' VAL . 5.4 tpt -32.85 -72.85 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.038 0.447 . . . . 0.0 111.38 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.615 HG23 ' N ' ' A' ' 111' ' ' ASN . 19.6 tt -52.42 -45.6 45.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.921 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.615 ' N ' HG23 ' A' ' 110' ' ' ILE . 14.0 t-20 -50.33 -8.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.719 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' A' ' 110' ' ' ILE . 70.2 mt -105.65 -157.46 0.61 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.208 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -97.64 52.42 1.32 Allowed Glycine 0 CA--C 1.52 0.37 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.401 ' OE1' ' CE ' ' A' ' 109' ' ' MET . 39.5 tt0 -159.08 111.5 2.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.471 ' C ' HD22 ' A' ' 116' ' ' LEU . 64.1 mttp -106.69 109.46 21.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.847 0.356 . . . . 0.0 111.356 -179.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.491 HD12 ' CB ' ' A' ' 120' ' ' GLU . 4.1 mm? -115.08 140.85 48.72 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.649 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.446 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 68.6 p -63.06 170.82 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.029 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.522 ' OD1' ' NH2' ' A' ' 106' ' ' ARG . 99.1 m-20 -67.68 -23.74 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.3 mp0 -70.47 -45.08 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.755 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.52 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 6.9 mp0 -70.2 -43.77 70.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.433 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.39 -46.9 95.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.194 0.521 . . . . 0.0 110.144 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -65.53 -31.12 72.01 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.096 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -61.82 -55.18 32.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.429 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.608 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 11.6 ttp -56.1 -43.43 78.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.342 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.9 mm -58.32 -38.27 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.129 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -81.5 -27.37 34.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.987 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -85.47 -65.93 0.96 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.931 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.417 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -46.52 -37.3 7.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.527 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.486 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 51.1 t0 -76.44 122.11 24.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.005 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 130' ' ' LEU . 3.8 mm? -66.2 -48.52 70.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.665 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 11.9 p-10 -97.59 -2.35 41.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.486 ' O ' ' OD2' ' A' ' 129' ' ' ASP . . . 61.81 -117.39 11.38 Favored Glycine 0 C--O 1.223 -0.54 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 2.5 m-20 80.78 -19.16 0.45 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.785 0.326 . . . . 0.0 110.437 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.53 7.57 53.71 Favored Glycine 0 N--CA 1.464 0.533 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.48 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 13.2 mt-30 -147.83 149.21 31.89 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.999 0.428 . . . . 0.0 110.43 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.9 t -116.85 126.07 74.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.15 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.929 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.555 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 17.0 t-20 -87.49 154.63 20.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.656 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.43 ' CZ ' HG21 ' A' ' 142' ' ' VAL . 53.2 t80 -47.08 -43.77 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.258 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -59.99 -49.38 77.9 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.442 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.454 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 92.4 mt-10 -61.72 -39.68 92.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.942 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -61.37 -48.4 81.42 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.565 HG22 HD21 ' A' ' 85' ' ' LEU . 38.2 t -58.96 -46.89 91.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.081 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -61.08 -32.07 71.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.0 tpt -71.24 -35.03 71.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 110.929 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.0 mmm -75.42 -24.36 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.149 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.508 ' O ' HG23 ' A' ' 148' ' ' VAL . 78.6 mtp -47.76 164.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.071 0.462 . . . . 0.0 110.789 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 149' ' ' ARG . 0.2 OUTLIER -41.77 -35.06 0.72 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.53 -179.326 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 146' ' ' MET . 26.2 t 58.77 -73.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.186 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 147' ' ' THR . 80.0 mtp180 . . . . . 0 C--N 1.318 -0.761 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.502 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.463 ' NH1' ' NH2' ' B' ' 24' ' ' ARG . 47.2 ptt85 -60.67 -39.14 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.478 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.24 -38.56 90.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.345 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -59.8 -44.57 93.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.099 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.608 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 3.4 m95 -59.96 -50.07 75.2 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.226 0.536 . . . . 0.0 110.019 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.463 ' NH2' ' NH1' ' B' ' 20' ' ' ARG . 87.9 mtm180 -65.8 -36.28 83.06 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.929 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 60.9 m -60.45 -45.09 94.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.145 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.455 ' O ' HG23 ' B' ' 30' ' ' VAL . 85.9 p -59.31 -44.84 92.51 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.088 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 97.4 t -68.43 -42.33 83.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.086 0.469 . . . . 0.0 110.327 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 37.9 t -62.53 -42.64 99.66 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.824 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.81 -41.76 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 26' ' ' SER . 53.6 t -59.26 -42.19 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.475 ' HD3' ' H ' ' A' ' 77' ' ' LYS . 18.8 ttmt -59.24 -43.46 92.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.517 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -65.23 -41.17 94.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.331 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.598 ' O ' ' N ' ' B' ' 35' ' ' ARG . 58.2 ttp180 -68.14 -46.42 70.86 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.526 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 55.79 -73.91 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 123.394 0.434 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.598 ' N ' ' O ' ' B' ' 33' ' ' ARG . 64.9 ttt180 69.39 -37.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.567 0.542 . . . . 0.0 110.222 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.526 ' H ' ' C ' ' B' ' 34' ' ' ALA . 71.1 ttt180 -92.99 -10.64 35.58 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.163 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.516 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.5 m-85 70.44 64.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.146 0.498 . . . . 0.0 110.155 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.479 ' HB3' ' HZ1' ' A' ' 75' ' ' LYS . 76.4 mtp85 -51.38 -41.72 60.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.025 0.44 . . . . 0.0 110.351 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.497 ' C ' ' SD ' ' B' ' 39' ' ' MET . 0.4 OUTLIER -63.77 -65.04 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 -179.327 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.425 HD13 HD11 ' A' ' 32' ' ' LEU . 96.0 mt -63.03 -43.27 98.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.717 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 96.2 p -54.91 -42.41 72.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.18 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -65.23 -40.98 94.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.401 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.412 -179.924 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.1 t0 70.01 -53.03 0.63 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.633 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 tt -137.31 135.79 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.387 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.4 mt -128.2 168.4 15.49 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.63 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 t -71.55 138.04 48.53 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.759 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.415 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 38.9 mp0 -58.22 -22.11 50.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.509 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -56.6 -58.48 7.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.231 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.48 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -47.15 -41.8 18.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -179.812 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.48 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 4.8 mm -66.07 -42.56 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.229 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.8 t -59.02 -48.25 87.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.978 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -57.9 -53.73 54.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.123 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -60.38 -42.89 96.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.194 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -64.99 -37.13 86.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.652 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -58.54 -51.45 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.191 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.34 89.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.293 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -60.13 -49.79 76.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.39 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.92 -32.44 75.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.607 ' O ' HD23 ' A' ' 18' ' ' LEU . 4.0 tt -64.64 -51.93 60.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.536 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CE2' ' CD1' ' B' ' 37' ' ' PHE . 0.9 OUTLIER -52.02 -25.91 9.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 -179.36 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 35.2 t0 -109.71 89.91 3.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.418 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' NZ ' HG22 ' A' ' 35' ' ' VAL . 44.4 mttp -63.39 -29.24 70.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.13 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.585 ' O ' ' C ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -97.91 31.98 2.51 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 -179.617 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.585 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.46 66.56 0.01 OUTLIER Glycine 0 N--CA 1.469 0.835 0 O-C-N 123.584 0.553 . . . . 0.0 111.778 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 22' ' ' ASP . 74.6 m-20 -88.61 -24.52 22.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.73 9.03 23.67 Favored Glycine 0 N--CA 1.465 0.616 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 23.4 p -169.58 124.8 0.83 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.789 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.8 mt -76.25 131.29 35.16 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 29' ' ' VAL . 57.5 m -106.48 156.74 18.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.611 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.444 ' N ' HG22 ' A' ' 28' ' ' THR . 74.2 t -51.35 -43.56 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.217 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.46 -59.52 5.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.423 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 82.0 mt-10 -55.38 -42.05 73.48 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.0 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.575 HD12 ' CD1' ' A' ' 19' ' ' PHE . 7.3 tp -62.97 -36.48 83.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.237 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.64 87.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.9 m -58.59 -47.28 84.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.521 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.421 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 80.6 t -62.44 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.723 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.8 mt -61.54 -44.43 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.738 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -63.68 -32.6 74.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.085 0.469 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 p -54.43 -17.67 3.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.496 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.458 ' C ' ' H ' ' A' ' 41' ' ' GLN . 5.8 mp -89.32 24.05 2.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.545 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 73.25 -16.4 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.514 0.509 . . . . 0.0 110.743 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' H ' ' C ' ' A' ' 39' ' ' LEU . 99.2 mm-40 -72.07 162.32 29.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.551 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -149.14 67.02 8.91 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.602 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -79.07 165.16 24.24 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.846 2.364 . . . . 0.0 111.932 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 47' ' ' GLU . 5.1 t -87.09 149.14 24.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.474 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.25 -20.7 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.747 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -62.86 -44.36 96.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.442 ' H ' HG23 ' A' ' 44' ' ' THR . 96.0 mt-10 -71.07 -26.58 63.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.704 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.5 mt -80.56 -44.77 18.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.086 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.74 -29.15 65.31 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.869 0.366 . . . . 0.0 110.142 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.86 -56.76 6.21 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 52' ' ' ILE . 0.5 OUTLIER -63.16 -33.77 76.18 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.884 0.373 . . . . 0.0 110.857 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.416 ' N ' ' HG3' ' A' ' 51' ' ' MET . 84.0 mt -74.76 -25.04 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.327 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 55' ' ' VAL . 46.0 t -89.06 -30.31 18.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.54 -0.89 0.19 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.483 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 57' ' ' ALA . 2.0 t -139.8 -52.01 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 66.7 t0 -48.89 87.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.57 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -42.49 -73.63 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.82 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.488 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.8 p30 -60.05 4.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 27.65 64.32 0.09 OUTLIER Glycine 0 C--N 1.341 0.828 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' OD1' ' O ' ' A' ' 62' ' ' THR . 48.0 p30 -102.16 27.78 6.38 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.758 0.314 . . . . 0.0 110.366 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 45.79 16.54 0.13 Allowed Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.475 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 52.8 p -137.75 134.11 34.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.771 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.5 mt -104.31 129.31 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.346 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -93.41 158.74 15.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.566 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -44.52 -49.45 10.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.444 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.9 -37.16 81.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.263 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.547 ' O ' HD13 ' A' ' 71' ' ' LEU . 95.4 mt-10 -73.54 -44.96 56.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.593 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -58.77 -43.71 90.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.231 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.7 tt -61.84 -45.57 93.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.017 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 p -67.72 -42.41 81.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.787 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 67' ' ' GLU . 7.2 mp -64.08 -43.2 96.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.0 tpt -63.79 -48.85 75.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.546 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -65.47 -42.27 92.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.563 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -65.73 12.39 0.06 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.546 ' H ' ' C ' ' A' ' 73' ' ' ALA . 2.9 ttmp? -159.03 48.35 0.33 Allowed 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 119.302 -0.38 . . . . 0.0 110.263 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 77' ' ' LYS . 1.0 OUTLIER 164.74 145.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.049 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 152.63 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.343 0.308 0 O-C-N 124.459 1.1 . . . . 0.0 109.373 178.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.495 ' O ' ' OG1' ' A' ' 79' ' ' THR . 72.6 m-20 -152.67 -70.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.816 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 78' ' ' ASP . 7.4 p 62.61 -139.74 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.437 0.461 . . . . 0.0 111.424 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.66 155.81 35.4 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.818 0.818 . . . . 0.0 110.984 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.78 -52.26 9.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.808 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.92 -21.82 63.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.712 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -77.09 -52.67 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -73.69 -34.07 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.639 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.3 -32.61 70.45 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.616 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -84.42 -45.24 12.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.594 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.446 ' OE1' ' NH2' ' B' ' 38' ' ' ARG . 73.1 mm-40 -60.32 -42.01 94.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.181 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.95 -54.65 38.8 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 56.1 t80 -58.2 -33.2 69.03 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.168 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -63.09 -37.98 89.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.48 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -75.34 -54.45 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 0.0 110.694 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -51.59 -45.86 63.32 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.703 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.55 ' OD2' ' CZ ' ' A' ' 89' ' ' PHE . 12.3 m-20 -84.24 60.66 6.08 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -40.95 -58.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.392 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 9.5 p30 -69.0 -3.73 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.144 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 93' ' ' ASP . 30.3 mm100 46.07 48.97 12.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.71 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.51 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 30.6 p30 -86.3 -4.37 59.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.496 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 99' ' ' TYR . . . 94.71 -3.05 67.6 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 4.8 m-85 -141.66 147.49 37.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.558 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 mt -93.27 113.88 28.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.272 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -92.35 153.03 19.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.403 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.35 -43.12 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.397 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.8 t -59.54 -42.42 92.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.285 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 65.9 mt-10 -66.22 -54.14 28.69 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.119 0.485 . . . . 0.0 110.583 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.538 HD21 ' CE ' ' A' ' 124' ' ' MET . 46.6 tp -61.67 -25.34 67.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.428 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.425 ' O ' HG22 ' A' ' 110' ' ' ILE . 80.0 ttt180 -78.95 -47.92 15.48 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.37 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -51.62 -53.74 35.28 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.689 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 109' ' ' MET . 38.7 t -60.51 -66.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.379 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.491 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.4 tpt -29.77 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.863 0.363 . . . . 0.0 111.251 -178.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.609 HG23 ' N ' ' A' ' 111' ' ' ASN . 9.5 tp -49.26 -45.96 18.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.015 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.609 ' N ' HG23 ' A' ' 110' ' ' ILE . 64.3 t30 -50.5 -8.47 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.617 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.525 ' H ' ' C ' ' A' ' 110' ' ' ILE . 72.9 mt -93.52 -112.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.622 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -155.05 48.89 0.49 Allowed Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -135.8 126.17 26.65 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.798 0.333 . . . . 0.0 110.531 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -89.6 98.74 11.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.367 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 55.9 mt -126.07 137.22 53.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.726 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.8 p -81.51 171.91 14.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.473 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 42.2 p-10 -62.65 -25.69 68.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.416 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.5 mt-10 -69.69 -42.41 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.078 0.465 . . . . 0.0 110.665 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.99 -42.48 66.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.744 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.34 -51.73 55.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.029 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.81 -29.95 70.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.122 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -66.11 -53.81 33.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.517 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.538 ' CE ' HD21 ' A' ' 105' ' ' LEU . 1.7 tmm? -52.31 -57.66 9.08 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 120.893 0.377 . . . . 0.0 111.088 -178.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.432 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 11.2 tt -52.52 -40.35 32.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.558 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.428 ' N ' HG23 ' A' ' 125' ' ' ILE . 90.8 mttt -64.41 -39.23 93.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.646 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.86 -45.91 66.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.559 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -58.57 -36.42 73.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.271 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 43.8 m-20 -67.84 105.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.03 0.443 . . . . 0.0 110.19 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.2 mt -76.97 -39.87 48.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.188 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.433 ' OD1' ' OD2' ' A' ' 133' ' ' ASP . 16.1 p30 -93.47 -1.57 55.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.052 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.422 ' O ' ' OD1' ' A' ' 133' ' ' ASP . . . 56.04 104.73 0.01 OUTLIER Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.433 ' OD2' ' OD1' ' A' ' 131' ' ' ASP . 31.6 m-20 -148.4 12.4 0.92 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.756 0.313 . . . . 0.0 110.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.02 -5.32 13.7 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -153.39 132.99 12.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.137 0.494 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.9 t -80.07 126.91 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.521 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -90.58 159.69 16.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.6 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -51.14 -40.24 58.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.379 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -62.78 -50.64 70.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.892 0.377 . . . . 0.0 110.549 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.55 -37.73 87.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.171 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.542 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 64.4 t80 -60.57 -46.72 89.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.288 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.86 -45.63 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.162 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -63.57 -34.98 79.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.938 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -66.53 -30.35 70.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.542 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 23.5 mtp -90.66 -18.86 24.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.474 -178.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 39.3 mtt -82.88 -92.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 149' ' ' ARG . 9.2 m -78.98 -17.73 54.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.757 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 148' ' ' VAL . 13.6 t 66.92 -5.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 O-C-N 123.375 0.422 . . . . 0.0 110.993 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.477 ' H ' ' C ' ' A' ' 147' ' ' THR . 84.2 mtt85 . . . . . 0 C--N 1.321 -0.637 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.623 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.624 ' HE ' ' NH2' ' B' ' 24' ' ' ARG . 41.8 ttp-105 -60.76 -47.09 87.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -71.32 -37.37 71.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -45.61 92.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.654 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.559 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 2.7 m95 -65.06 -47.17 78.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.113 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.624 ' NH2' ' HE ' ' B' ' 20' ' ' ARG . 88.6 mtm180 -65.66 -34.84 79.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.92 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 40.9 t -60.74 -46.82 88.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.509 ' O ' HG23 ' B' ' 30' ' ' VAL . 39.2 t -61.58 -41.25 97.15 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.345 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t -66.19 -46.0 88.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.757 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.0 m -69.39 -43.12 74.15 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.007 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.59 -42.4 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 26' ' ' SER . 38.9 t -64.0 -43.16 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.185 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -62.96 -45.39 92.67 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.567 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -65.94 -36.83 84.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.217 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' B' ' 34' ' ' ALA . 59.0 ttm-85 -60.96 -54.88 39.55 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.009 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.518 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 25.72 50.34 0.02 OUTLIER 'General case' 0 C--N 1.343 0.291 0 O-C-N 123.628 0.58 . . . . 0.0 111.146 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -58.56 -2.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.039 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.518 ' H ' ' C ' ' B' ' 34' ' ' ALA . 33.6 mmt180 -111.21 0.87 16.92 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.6 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER 54.01 58.06 5.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.364 179.176 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.446 ' NH2' ' OE1' ' A' ' 87' ' ' GLU . 53.9 mtp85 -55.47 -31.02 61.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.421 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 33.0 mmm -69.69 -63.14 1.13 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.988 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.33 -42.94 97.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.245 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 16.9 t -57.16 -46.07 83.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.113 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -67.61 -39.86 84.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.504 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 tp . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.48 -179.606 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -117.88 -87.77 0.62 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.117 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.4 mm -59.03 -44.86 92.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.264 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.672 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -48.88 165.79 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.566 179.679 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 t -158.36 155.15 28.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.2 mt-10 -46.97 -35.24 6.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.14 -44.53 83.9 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -56.03 -53.8 52.58 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.409 ' HA ' HD13 ' A' ' 9' ' ' ILE . 47.5 mm -58.69 -44.54 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 6' ' ' GLU . 14.0 t -54.84 -48.29 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.742 -0.383 . . . . 0.0 109.99 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -53.51 -50.62 65.02 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -64.66 -42.77 95.17 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.384 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -55.12 -38.49 68.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.794 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -65.43 -48.17 73.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.013 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.81 74.3 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.092 0.473 . . . . 0.0 110.213 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -58.22 -47.88 82.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.313 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.21 -39.95 51.51 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mt -63.93 -41.2 97.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.861 0.363 . . . . 0.0 110.679 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.502 ' CZ ' ' CD1' ' B' ' 37' ' ' PHE . 16.7 m-85 -63.97 -42.59 97.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.209 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 24' ' ' ASP . 46.4 t0 -100.66 76.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.768 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -52.87 -28.38 22.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.052 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.603 ' O ' ' C ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -97.67 38.17 1.31 Allowed 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.593 -179.66 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.603 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.74 67.98 0.01 OUTLIER Glycine 0 CA--C 1.525 0.677 0 O-C-N 123.399 0.437 . . . . 0.0 112.198 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -95.21 -25.94 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.414 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 104.67 13.64 25.4 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.561 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 18.7 m -161.72 165.0 28.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 110.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -116.06 118.02 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.833 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.604 ' HA ' HG22 ' A' ' 62' ' ' THR . 8.6 m -97.42 151.96 19.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.5 t -49.99 -45.83 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.256 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -61.0 -54.73 41.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.01 -43.8 78.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.619 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.88 -37.05 80.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.421 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.5 91.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.198 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.3 m -58.54 -45.99 87.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.962 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.45 -44.53 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.349 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.486 ' CD1' HD11 ' A' ' 48' ' ' LEU . 92.4 mt -62.02 -42.47 95.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.198 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -59.89 -34.16 72.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.232 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -57.77 -27.25 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.817 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 mp -78.6 11.49 2.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 69.83 40.96 1.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.786 0.679 . . . . 0.0 110.789 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -165.01 128.63 2.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -126.7 84.07 63.67 Favored Pre-proline 0 C--N 1.333 -0.152 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.737 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -56.6 168.14 2.42 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.905 2.403 . . . . 0.0 111.87 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.458 HG23 ' H ' ' A' ' 47' ' ' GLU . 5.1 t -66.0 141.95 58.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.69 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.62 -39.27 61.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.351 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.496 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 2.2 tm-20 -48.69 -43.87 37.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.445 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.503 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.3 tm-20 -62.19 -33.28 74.24 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.206 0.527 . . . . 0.0 110.487 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 36' ' ' ILE . 4.1 mm? -78.84 -35.07 44.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.083 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -62.1 -48.19 81.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.86 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 54' ' ' GLU . 13.8 p-10 -67.05 -45.87 76.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.436 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.4 ttm -46.85 -54.75 9.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.709 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.53 -41.12 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.271 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.1 t -72.09 -18.91 61.88 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.715 0.634 . . . . 0.0 110.7 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 50' ' ' ASP . 82.2 tt0 -78.72 -8.35 58.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.127 0.489 . . . . 0.0 110.429 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 t -146.45 40.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 14.1 t0 -105.81 103.3 12.77 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.42 -8.2 53.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.258 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 48.7 p30 -127.2 10.27 6.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.737 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 42.43 47.99 5.73 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' C ' ' N ' ' A' ' 62' ' ' THR . 52.5 p-10 -106.53 15.41 25.9 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.652 0.263 . . . . 0.0 110.582 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 47.15 15.78 0.22 Allowed Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.604 HG22 ' HA ' ' A' ' 28' ' ' THR . 77.2 p -139.02 145.65 39.89 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.964 0.412 . . . . 0.0 110.864 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.2 mt -96.94 125.47 49.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 120.957 0.408 . . . . 0.0 110.278 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -82.78 162.73 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -51.27 -48.09 62.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.389 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.07 -38.4 86.08 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.167 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -70.6 -52.56 20.66 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -53.85 -42.92 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 69' ' ' LEU . 2.8 tt -57.56 -58.63 7.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.371 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.4 t -64.92 -43.65 92.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.676 HD23 ' C ' ' A' ' 71' ' ' LEU . 6.6 tt -52.52 -58.83 5.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.5 tpt -67.72 -45.04 76.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.809 0.338 . . . . 0.0 111.319 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.63 -25.8 63.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.882 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' VAL . 25.5 mmtp -94.53 -59.73 1.87 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.749 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -55.21 77.88 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.829 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.578 HG12 ' N ' ' A' ' 77' ' ' LYS . 59.3 t -134.22 162.45 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.578 ' N ' HG12 ' A' ' 76' ' ' VAL . 28.5 ttpt 158.62 -62.75 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.16 0 O-C-N 123.466 0.479 . . . . 0.0 110.52 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 71.78 -59.36 0.55 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.672 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 79' ' ' THR . 95.9 m 57.18 51.82 9.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.928 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -161.45 120.89 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.84 -52.34 9.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.043 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -58.7 -25.25 62.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.611 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -79.46 -53.04 7.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.308 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.52 -35.98 75.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.006 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 98.1 mt -73.66 -29.24 62.2 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.361 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -84.68 -50.99 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.361 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.8 pp20? -59.01 -40.69 85.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.912 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.45 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -62.14 -55.31 30.06 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -58.7 -37.07 75.3 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.05 0.453 . . . . 0.0 110.144 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -58.14 -37.99 75.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.6 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 87' ' ' GLU . 70.2 t -73.58 -49.68 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.234 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.509 ' N ' ' CD1' ' A' ' 92' ' ' PHE . 3.0 m-30 -58.04 -47.15 83.97 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.909 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 96' ' ' GLN . 39.0 t0 -88.79 59.47 5.09 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -39.3 -59.72 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.061 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 53.8 p30 -64.06 -7.71 9.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.234 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 93' ' ' ASP . 34.9 mt-30 45.97 58.9 4.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.336 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.426 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 26.8 p-10 -100.16 -5.7 27.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.369 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.485 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.88 0.81 48.85 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 24.4 m-85 -145.34 149.87 35.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.878 0.37 . . . . 0.0 110.631 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 mt -95.79 115.25 34.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.04 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.6 t -81.86 145.68 30.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.448 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.35 -44.24 65.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.546 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.7 m -59.32 -46.4 88.7 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.95 -46.12 90.43 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.073 0.464 . . . . 0.0 110.304 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.507 HD23 HD11 ' A' ' 125' ' ' ILE . 54.3 tp -70.75 -23.98 62.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.315 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -63.57 -45.48 90.27 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.272 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.918 ' CG ' HD22 ' A' ' 111' ' ' ASN . 0.5 OUTLIER -69.66 -58.11 4.33 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.825 179.328 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 108' ' ' VAL . 40.8 t -46.19 -16.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.317 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.47 ' N ' ' C ' ' A' ' 107' ' ' HIS . 6.9 tpt -91.45 -76.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.534 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.4 tt -51.26 -32.16 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.271 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.918 HD22 ' CG ' ' A' ' 107' ' ' HIS . 95.8 m-20 -52.88 -14.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.668 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.457 HD22 ' CG2' ' B' ' 29' ' ' ILE . 69.9 mt -96.21 8.2 44.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.621 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.61 36.5 26.01 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -121.63 128.44 51.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.287 0.565 . . . . 0.0 110.62 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.542 ' C ' HD22 ' A' ' 116' ' ' LEU . 98.4 mttt -102.62 92.34 4.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.038 0.446 . . . . 0.0 110.254 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.542 HD22 ' C ' ' A' ' 115' ' ' LYS . 4.4 mm? -108.17 128.36 54.64 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.9 p -53.47 151.21 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.304 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 42.3 p-10 -59.12 -30.19 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.443 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.462 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.2 mt-10 -64.92 -47.74 76.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.456 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HG2' HD12 ' A' ' 116' ' ' LEU . 40.5 tp10 -62.08 -46.98 86.69 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.239 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.6 t -63.43 -45.43 97.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.082 0.468 . . . . 0.0 110.319 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -59.69 -36.68 76.97 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.395 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -61.94 -53.18 59.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.331 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.7 ttp -50.4 -40.22 49.29 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.545 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.507 HD11 HD23 ' A' ' 105' ' ' LEU . 30.8 mm -64.08 -45.85 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -76.74 -24.98 53.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -82.71 -57.36 3.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.774 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.441 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -46.35 -44.25 16.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.299 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 20.6 t0 -88.91 120.02 29.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.254 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 130' ' ' LEU . 10.5 mp -57.96 -43.68 86.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.435 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 1.1 p-10 -80.65 -14.67 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.718 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.563 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 65.37 -101.99 0.62 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 0.0 OUTLIER 69.78 -23.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.776 0.322 . . . . 0.0 110.612 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 104.93 11.74 29.44 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -147.65 153.11 38.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.889 0.376 . . . . 0.0 110.545 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.5 t -113.88 121.04 65.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.103 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.805 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -84.84 155.82 21.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -50.73 -44.58 58.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.135 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.73 -39.42 94.26 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.238 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.431 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 94.8 mt-10 -67.08 -37.28 83.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.121 0.486 . . . . 0.0 110.489 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.591 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 53.2 t80 -70.21 -47.63 60.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.4 t -55.66 -56.04 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.034 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 144' ' ' MET . 36.7 pttt -60.8 -37.58 82.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.069 0.461 . . . . 0.0 110.545 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' A' ' 144' ' ' MET . 1.8 tmt? -71.18 -35.07 71.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.289 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.591 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 4.7 tpt -67.98 -27.4 66.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.896 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.446 ' O ' ' O ' ' A' ' 145' ' ' MET . 17.6 mmt -44.01 170.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.643 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 32.4 m -64.87 77.9 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.602 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 146' ' ' MET . 72.3 t -60.26 -42.24 89.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.495 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.642 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.557 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -60.4 -43.59 96.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -67.49 -38.5 84.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.346 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -61.04 -44.98 96.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.441 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 2.0 m95 -62.73 -47.64 82.69 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -65.94 -35.17 79.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.951 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 38.3 t -60.97 -44.41 97.38 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.033 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.657 ' O ' HG23 ' B' ' 30' ' ' VAL . 89.6 p -61.97 -43.68 98.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.324 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.1 t -68.41 -43.66 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.618 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.0 t -66.96 -46.5 74.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.756 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.457 ' CG2' HD22 ' A' ' 112' ' ' LEU . 78.3 mt -61.98 -41.65 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.159 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 26' ' ' SER . 25.5 t -58.76 -40.88 80.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.716 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -60.69 -46.13 91.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.909 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.34 -38.57 78.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.332 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' B' ' 34' ' ' ALA . 72.0 ttt180 -70.38 -46.85 63.23 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 33.37 81.29 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -67.35 -16.07 64.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.908 0.385 . . . . 0.0 110.304 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.453 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 80.0 mtt85 -112.06 -0.47 15.65 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.639 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.502 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 1.3 m-85 64.88 45.6 3.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.742 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' B' ' 37' ' ' PHE . 17.9 ptm180 -37.24 -34.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.879 0.371 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -69.11 -72.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.018 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.65 -29.63 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.264 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -61.72 -45.75 92.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.092 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -65.52 -41.05 93.56 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.43 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.422 -179.604 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 3' ' ' ILE . 92.9 m-20 -81.48 94.0 6.76 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.779 HG23 ' N ' ' A' ' 4' ' ' LEU . 1.3 tt 15.58 -119.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 124.035 0.835 . . . . 0.0 111.029 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.779 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.8 OUTLIER 175.04 86.71 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 123.333 0.395 . . . . 0.0 110.369 179.146 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m -111.24 160.35 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.266 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -65.6 -22.13 66.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.425 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -53.17 -30.91 39.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.288 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -75.49 -48.74 21.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.041 0.448 . . . . 0.0 110.068 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.7 mm -63.67 -38.55 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.153 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.1 t -61.89 -48.87 86.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.397 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -53.6 -49.58 67.49 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.05 0.453 . . . . 0.0 110.038 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -64.23 -36.97 85.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.044 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -60.98 -38.26 85.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.248 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -63.98 -48.83 74.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.126 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.53 85.34 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.621 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.53 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 61.5 t80 -52.39 -48.54 65.58 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.05 -31.5 61.71 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -50.27 74.23 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.394 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.23 -33.35 73.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.29 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.53 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 37.2 m-20 -93.0 83.54 4.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -58.18 -43.07 87.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.129 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.561 ' O ' ' C ' ' A' ' 23' ' ' GLY . 51.7 p-10 -92.27 36.08 1.0 Allowed 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.27 63.73 0.01 OUTLIER Glycine 0 N--CA 1.473 1.134 0 O-C-N 124.152 0.908 . . . . 0.0 111.461 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 16.1 p-10 -86.75 -26.52 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.503 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.55 10.46 23.35 Favored Glycine 0 N--CA 1.466 0.655 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.48 ' SG ' ' OD2' ' A' ' 24' ' ' ASP . 20.8 p -167.99 126.67 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.76 0.314 . . . . 0.0 111.01 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 84.5 mt -76.2 130.17 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.01 -170.8 2.04 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 t -81.85 -44.86 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.512 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.68 -44.76 96.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.54 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -62.44 -45.56 92.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.429 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.0 tp -59.6 -40.51 87.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.105 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.29 -39.95 78.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 m -60.82 -48.7 80.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.51 -46.93 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.518 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.93 -43.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -59.13 -34.52 72.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.468 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.5 p -93.59 11.55 28.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.482 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -103.31 14.92 30.46 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.103 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 1.9 m-20 78.69 20.66 0.8 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.443 0.465 . . . . 0.0 110.674 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' B' ' 41' ' ' SER . 32.2 mt-30 -145.05 153.18 41.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.233 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -145.17 79.42 11.75 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.49 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -79.63 160.99 25.02 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.86 2.373 . . . . 0.0 112.231 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 m -62.66 136.39 57.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.34 -49.69 74.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.55 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.581 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 1.3 mp0 -43.5 -44.17 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 6.8 mp0 -61.63 -51.1 69.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.846 0.355 . . . . 0.0 110.063 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.3 mt -52.5 -53.54 44.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.37 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -53.41 -45.76 69.5 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.29 -40.35 95.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.482 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 27.6 ttp -63.28 -40.07 96.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.478 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.759 ' CD1' HD11 ' A' ' 63' ' ' ILE . 31.5 mm -64.6 -45.22 96.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.598 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -79.0 -12.36 60.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -59.15 -44.72 92.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.805 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.7 t -106.77 -46.02 8.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.746 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -48.52 97.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.672 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.583 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -47.0 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.705 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.536 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.1 p30 -60.35 5.54 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.583 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 17.12 59.88 0.01 OUTLIER Glycine 0 C--N 1.346 1.118 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.764 ' ND2' ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -78.02 -10.81 59.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.648 -0.276 . . . . 0.0 110.476 -178.754 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.668 ' N ' HD22 ' A' ' 60' ' ' ASN . . . 101.43 3.65 53.33 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.764 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 12.7 p -140.66 148.97 41.65 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.91 0.386 . . . . 0.0 110.393 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.759 HD11 ' CD1' ' A' ' 52' ' ' ILE . 65.4 mt -101.47 122.31 53.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.51 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -83.97 161.42 20.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.203 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -52.44 -46.27 66.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.384 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.78 -38.86 83.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.171 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.12 -47.23 52.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.611 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -59.66 -45.98 90.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.258 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.25 -48.03 79.91 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.924 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -63.81 -44.97 91.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.64 -48.14 82.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.576 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.6 tpt -65.35 -42.01 93.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.2 85.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.132 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.29 -61.02 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.35 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -118.15 117.81 30.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.044 HG13 ' H ' ' A' ' 77' ' ' LYS . 2.5 p -113.42 -91.35 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.619 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 1.044 ' H ' HG13 ' A' ' 76' ' ' VAL . 65.0 pttt -52.56 179.89 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.172 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -133.63 15.8 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.638 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 75.1 78.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 0.0 110.705 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -160.98 118.65 2.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.18 0.514 . . . . 0.0 110.506 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.5 13.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.995 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -54.04 -18.87 4.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.098 0.475 . . . . 0.0 110.701 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -81.48 -57.77 3.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -68.29 -35.17 77.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.495 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 mt -69.18 -39.72 78.55 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -84.94 -45.06 12.57 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.481 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.05 -41.21 91.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.85 -54.74 37.99 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.553 ' CZ ' ' OD1' ' A' ' 93' ' ' ASP . 59.3 t80 -57.14 -33.48 67.43 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.287 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -61.7 -39.12 90.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.562 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.8 t -73.48 -43.81 54.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.689 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.502 ' CE1' HG11 ' A' ' 108' ' ' VAL . 43.3 m-85 -59.22 -46.72 87.72 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.113 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.553 ' OD1' ' CZ ' ' A' ' 89' ' ' PHE . 5.4 m-20 -93.24 58.41 2.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.034 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -41.31 -58.44 1.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.285 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.823 ' CG ' HD22 ' A' ' 97' ' ' ASN . 6.9 p30 -70.13 -2.98 14.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.103 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' ASP . 97.0 mt-30 55.9 67.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.013 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.823 HD22 ' CG ' ' A' ' 95' ' ' ASP . 6.8 m-20 -102.6 -16.68 16.0 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.654 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 98.01 -2.92 60.09 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.472 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 24.3 m-85 -141.75 146.07 35.56 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mt -91.0 113.75 27.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.284 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 t -90.38 139.36 30.74 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.08 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.469 ' CB ' ' OE2' ' A' ' 122' ' ' GLU . . . -41.61 -41.12 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.1 m -59.34 -46.18 89.32 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.753 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.31 -43.01 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.76 -27.75 64.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.131 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 102' ' ' ALA . 67.3 ttt180 -62.4 -45.84 91.3 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.57 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 109' ' ' MET . 40.1 m80 -69.39 -58.84 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.977 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.502 HG11 ' CE1' ' A' ' 92' ' ' PHE . 75.3 t -45.13 -18.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.58 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 107' ' ' HIS . 4.0 tpt -90.29 -76.95 0.41 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.201 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.5 tt -48.31 -37.06 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.741 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.477 ' N ' HG23 ' A' ' 110' ' ' ILE . 72.5 m-20 -66.54 -26.98 67.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.995 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' A' ' 113' ' ' GLY . 10.8 mp -102.92 76.71 1.5 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.049 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 22.98 55.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 123.784 0.677 . . . . 0.0 111.807 179.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -170.87 101.78 0.23 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.4 ' C ' HD12 ' A' ' 116' ' ' LEU . 66.0 tttm -103.63 112.48 25.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.199 0.523 . . . . 0.0 111.21 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 115' ' ' LYS . 9.8 mp -109.8 132.12 54.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.286 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.434 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 32.6 p -54.2 165.56 0.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.995 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 33.9 p-10 -59.91 -37.19 78.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.4 mt-10 -64.29 -44.29 92.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.588 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -62.92 -43.66 98.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.381 -179.736 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.92 -48.58 87.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.076 0.465 . . . . 0.0 110.435 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.469 ' OE2' ' CB ' ' A' ' 102' ' ' ALA . 80.3 mm-40 -67.69 -34.9 77.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.252 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -64.0 -52.91 57.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.609 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.0 ttp -54.53 -46.9 73.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.405 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.0 mt -62.25 -46.56 96.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.437 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -58.39 -41.57 85.13 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.54 -46.72 58.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.606 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.36 98.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.299 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.555 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 60.2 t0 -68.13 112.75 5.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.273 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 130' ' ' LEU . 9.4 mp -68.52 -37.11 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 132' ' ' GLY . 1.8 p-10 -90.59 -3.35 57.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.012 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 53.54 118.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.555 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 52.3 p30 -172.44 18.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.58 -0.365 . . . . 0.0 110.598 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.48 19.3 62.21 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -152.17 160.94 43.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.544 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.5 t -127.78 126.62 67.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.999 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -90.14 160.31 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.459 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -52.87 -39.47 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.364 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -61.73 -55.37 31.02 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.812 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.438 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 82.2 mt-10 -58.1 -38.32 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.914 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -61.24 -48.07 83.15 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.414 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 34.1 t -58.37 -49.98 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.438 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -64.81 -35.64 81.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.816 0.341 . . . . 0.0 111.296 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.647 ' O ' HG22 ' A' ' 148' ' ' VAL . 1.8 tmt? -66.55 -28.27 68.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.012 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.4 ttm -91.91 -19.25 22.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.5 mmm -69.39 -123.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.943 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.488 ' C ' HG23 ' A' ' 148' ' ' VAL . 17.5 m -66.67 -46.49 75.5 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.729 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 144' ' ' MET . 2.6 t 71.58 -126.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.144 0 O-C-N 123.331 0.394 . . . . 0.0 110.397 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.459 ' HE ' HG22 ' A' ' 147' ' ' THR . 81.8 mtm180 . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.492 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -64.29 -37.29 86.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.431 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -66.91 -40.97 87.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.468 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -64.29 -39.77 94.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.201 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.44 -48.23 80.59 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -65.61 -35.98 82.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.779 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.1 t -59.9 -44.67 94.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.148 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.777 ' O ' HG23 ' B' ' 30' ' ' VAL . 20.1 m -60.6 -44.51 96.17 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.228 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.34 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.156 0.503 . . . . 0.0 110.353 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -63.52 -50.26 70.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.257 0.551 . . . . 0.0 111.088 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 64.1 mt -64.88 -25.45 37.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.114 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.777 HG23 ' O ' ' B' ' 26' ' ' SER . 25.1 t -68.09 -43.92 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' B' ' 32' ' ' ASN . 28.1 pttt -60.43 -41.62 94.36 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.421 -0.512 . . . . 0.0 109.922 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ASN . . . . . 0.455 ' N ' ' HG2' ' B' ' 31' ' ' LYS . 26.0 t-20 -68.25 -37.51 80.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.857 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.575 HH21 ' NH2' ' B' ' 35' ' ' ARG . 52.5 ttt180 -79.65 -3.84 49.02 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.851 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.531 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . -22.77 97.84 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.947 0.403 . . . . 0.0 111.23 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.575 ' NH2' HH21 ' B' ' 33' ' ' ARG . 38.6 ttm180 -83.3 -10.73 58.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.201 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.422 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 6.8 mmp_? -96.41 -1.47 47.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.755 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' B' ' 39' ' ' MET . 0.6 OUTLIER 60.87 43.14 12.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.412 179.513 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -40.94 -27.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.75 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.468 ' C ' ' SD ' ' B' ' 39' ' ' MET . 0.9 OUTLIER -71.16 -70.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.495 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.37 -43.03 98.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.423 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.477 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 17.9 p -53.99 -47.92 70.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.085 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.455 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 59.2 t30 -78.68 -39.82 35.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.683 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.455 ' OXT' ' O ' ' B' ' 42' ' ' ASN . 6.3 tt . . . . . 0 C--O 1.222 -0.363 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.8 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 54.25 49.32 18.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.733 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 tt -120.63 23.86 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.302 0.572 . . . . 0.0 110.707 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.5 mt -124.13 98.92 5.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 t -151.36 145.85 25.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.642 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 10' ' ' VAL . 93.9 mt-10 -54.35 -22.83 13.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.588 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.74 -27.97 65.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.031 0.443 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.27 -53.88 6.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.055 0.455 . . . . 0.0 110.02 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 mm -61.88 -40.03 85.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.657 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 6' ' ' GLU . 25.3 t -58.34 -49.44 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.124 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -54.72 -53.79 50.34 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.613 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -63.23 -42.01 99.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.537 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -59.08 -39.9 83.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.299 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -56.23 -51.49 67.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.3 -47.48 75.52 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.315 0.578 . . . . 0.0 110.205 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -60.38 -46.87 88.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.331 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.13 -39.88 58.48 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.89 -46.12 89.32 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.296 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.7 -40.15 96.24 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.549 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -84.88 71.28 10.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.078 0.466 . . . . 0.0 110.644 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -58.92 -41.23 86.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.524 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' C ' ' A' ' 23' ' ' GLY . 50.3 p-10 -91.89 33.79 1.03 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.65 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 17.74 57.53 0.01 OUTLIER Glycine 0 C--N 1.349 1.254 0 O-C-N 123.768 0.667 . . . . 0.0 112.083 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.0 p-10 -86.93 -25.76 24.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.274 0.559 . . . . 0.0 110.818 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 113.2 -26.54 10.31 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.427 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 12.8 m -128.83 175.84 8.31 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 117.283 0.542 . . . . 0.0 110.163 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -119.84 126.48 75.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 m -102.69 152.75 20.85 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.918 0.39 . . . . 0.0 110.913 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.0 t -47.49 -43.99 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.046 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.93 -51.11 70.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.91 -43.74 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.02 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.654 HD22 HD11 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -61.53 -40.32 94.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.036 179.379 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.98 90.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.735 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 m -60.99 -51.65 68.36 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.956 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -62.26 -46.8 95.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.437 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.654 HD11 HD22 ' A' ' 32' ' ' LEU . 70.9 mt -61.64 -43.03 96.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.465 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -55.88 -38.19 69.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.113 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -91.64 22.02 4.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -127.46 3.19 6.24 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.673 0.273 . . . . 0.0 110.749 179.581 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' CG ' ' H ' ' A' ' 41' ' ' GLN . 0.6 OUTLIER 179.28 -80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.287 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.419 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 56.4 tt0 -154.88 -88.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.764 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 43' ' ' PRO . 20.0 t30 179.44 87.75 0.18 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.503 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.485 ' O ' ' O ' ' A' ' 42' ' ' ASN . 51.0 Cg_exo -52.92 -151.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.732 2.288 . . . . 0.0 111.851 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.495 HG22 ' H ' ' A' ' 46' ' ' GLU . 49.4 m -109.08 137.31 47.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.045 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.645 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 1.3 pm0 -59.4 -40.62 87.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.576 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' H ' HG22 ' A' ' 44' ' ' THR . 80.7 tt0 -60.14 -40.36 89.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.412 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.72 -32.75 74.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.501 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.56 -55.63 5.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.71 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -53.3 -37.98 62.74 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' GLU . 27.3 t70 -65.21 -47.1 78.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.3 ttm -58.59 -46.01 87.87 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.945 0.402 . . . . 0.0 110.605 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.723 HD12 HD11 ' A' ' 63' ' ' ILE . 47.2 mm -64.9 -40.24 88.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.8 p -79.16 -22.73 44.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.607 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' ASP . 45.0 tp10 -57.15 -44.59 83.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.88 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' A' ' 57' ' ' ALA . 95.6 t -104.8 -57.17 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.277 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -43.08 89.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.753 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -46.74 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.325 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.522 ' O ' ' C ' ' A' ' 59' ' ' GLY . 5.6 p30 -59.9 1.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.066 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 16.86 60.99 0.01 OUTLIER Glycine 0 C--N 1.347 1.175 0 O-C-N 123.999 0.812 . . . . 0.0 111.276 179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.778 ' ND2' ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -75.91 -10.67 59.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.409 . . . . 0.0 110.678 -179.11 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.682 ' N ' HD22 ' A' ' 60' ' ' ASN . . . 103.06 1.89 48.52 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.778 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 58.7 p -139.71 148.31 42.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.723 HD11 HD12 ' A' ' 52' ' ' ILE . 33.5 mt -100.29 124.24 53.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.945 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -84.75 161.01 20.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.175 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -50.93 -48.29 60.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.093 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -60.62 -39.01 86.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.49 -52.35 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.092 0.472 . . . . 0.0 110.542 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -55.28 -40.02 70.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.563 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.459 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -60.1 -60.61 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.605 -179.592 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.8 m -52.32 -39.58 60.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.292 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -59.69 -56.79 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.538 -178.745 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.1 mmt -67.11 -41.68 85.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.061 0.458 . . . . 0.0 111.059 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.52 80.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.343 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -75.18 -57.31 3.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -79.01 122.19 25.87 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.615 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.608 ' O ' HG12 ' A' ' 76' ' ' VAL . 47.7 t -153.16 77.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.45 178.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 76' ' ' VAL . 33.5 ttmt -27.65 87.76 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.506 0.504 . . . . 0.0 111.39 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 76' ' ' VAL . 34.5 t70 -117.67 15.89 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.057 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.9 p -114.93 59.23 0.7 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.029 0.442 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.614 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 1.4 p-10 -165.64 89.48 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.94 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.32 -58.41 8.11 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.77 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 85' ' ' LEU . 84.2 tt0 -75.1 -66.66 0.73 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.381 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' GLU . 1.9 tm-20 -35.44 -47.43 0.44 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.337 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -67.63 -47.2 70.29 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.333 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' GLU . 46.4 mt -66.72 -14.63 62.77 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.61 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.01 -48.76 11.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.734 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.551 ' CD ' HH21 ' B' ' 38' ' ' ARG . 81.4 tt0 -65.85 -43.1 89.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.58 -0.448 . . . . 0.0 109.916 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.467 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -57.36 -49.57 75.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.611 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.9 -42.27 93.45 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.828 0.347 . . . . 0.0 110.284 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -57.03 -34.31 68.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.262 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.45 -59.11 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.042 0.448 . . . . 0.0 110.614 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.467 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 4.5 m-85 -54.7 -44.26 73.26 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.415 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 96' ' ' GLN . 45.6 t0 -87.15 64.09 8.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.497 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -40.71 -56.56 2.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 111.499 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.451 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 3.1 m-20 -63.76 -9.98 17.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.119 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 93' ' ' ASP . 24.9 pt20 42.95 27.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.799 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.75 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -72.96 2.21 7.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.674 -179.238 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.535 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 97.05 -0.13 60.3 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.75 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 3.8 m-85 -138.13 143.45 40.35 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.772 0.32 . . . . 0.0 110.253 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mt -96.22 112.79 29.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -79.21 153.1 30.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.404 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.99 90.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.3 m -59.66 -41.3 90.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.029 0.442 . . . . 0.0 110.775 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.451 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 50.2 mt-10 -64.38 -58.78 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.869 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.564 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 47.7 tp -61.09 -23.71 65.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.226 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -77.25 -49.7 14.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -53.78 -51.94 61.81 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.989 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' A' ' 111' ' ' ASN . 47.5 t -59.09 -64.29 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.939 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 108' ' ' VAL . 6.0 tpt -30.2 -68.98 0.07 Allowed 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.383 0.427 . . . . 0.0 110.731 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 18.8 tt -57.07 -34.81 45.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.017 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 108' ' ' VAL . 0.7 OUTLIER -52.66 -13.26 0.37 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.661 0.267 . . . . 0.0 110.737 -179.664 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.597 HD13 HH11 ' B' ' 33' ' ' ARG . 3.9 mm? -92.69 -104.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -154.72 68.96 0.29 Allowed Glycine 0 C--N 1.322 -0.234 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.525 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 82.9 tt0 -169.11 127.06 0.98 Allowed 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.523 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.63 119.96 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.035 0.445 . . . . 0.0 110.314 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 116' ' ' LEU . 4.3 mm? -101.96 166.47 10.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.447 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 121' ' ' VAL . 19.3 p -136.5 177.42 7.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.322 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 32.3 p-10 -71.85 -33.97 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.654 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.418 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 80.7 mm-40 -73.85 -57.02 4.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.456 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 43.3 tp10 -51.08 -44.86 61.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.391 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 117' ' ' THR . 62.1 t -63.38 -46.16 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.165 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -66.58 -32.4 73.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -61.33 -64.45 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.603 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 1.2 ttp -55.03 -41.7 71.71 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.527 -178.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.8 mm -62.18 -42.0 93.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.717 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -75.16 -29.7 60.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -84.42 -66.05 0.94 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.046 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.465 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -41.59 -32.69 0.38 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 110.295 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.442 ' OD2' ' OD1' ' A' ' 133' ' ' ASP . 63.7 t0 -89.39 114.32 25.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.365 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.82 -45.0 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.307 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 12.5 p30 -86.05 -1.83 57.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.462 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.2 42.26 3.12 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.442 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 27.6 p-10 -71.53 -1.1 12.22 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.549 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.73 -10.4 45.21 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -144.28 168.38 20.21 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.635 0.255 . . . . 0.0 110.408 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.8 t -115.3 126.23 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.702 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -92.14 149.69 21.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.355 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -43.83 -42.15 5.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.193 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.83 -50.14 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.435 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 95.6 mt-10 -61.78 -43.1 99.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.194 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.26 -49.79 76.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.089 0.471 . . . . 0.0 109.999 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 20.0 t -57.6 -47.2 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.837 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -60.65 -31.78 70.98 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.815 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.481 ' O ' ' SD ' ' A' ' 144' ' ' MET . 1.6 tmm? -67.0 -38.15 85.49 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.925 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 tpp -84.66 -17.22 39.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.377 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.467 ' C ' ' OG1' ' A' ' 147' ' ' THR . 2.7 mmt -51.43 -30.13 18.41 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.208 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.497 ' C ' ' H ' ' A' ' 149' ' ' ARG . 0.0 OUTLIER 169.4 -75.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.43 0.634 . . . . 0.0 110.363 179.509 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.678 ' O ' HG12 ' A' ' 148' ' ' VAL . 96.1 t 51.1 8.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.521 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.497 ' H ' ' C ' ' A' ' 147' ' ' THR . 17.6 ptm180 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.672 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 ttp85 -60.43 -42.54 96.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.524 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.91 -40.01 95.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.431 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.525 ' NH1' ' OE2' ' A' ' 114' ' ' GLU . 14.3 tpp180 -58.86 -45.08 90.98 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.169 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.603 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 11.5 m95 -62.83 -47.39 83.61 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.208 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -65.42 -36.59 84.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.8 t -60.32 -48.06 83.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.573 ' O ' HG23 ' B' ' 30' ' ' VAL . 94.8 p -60.77 -43.14 98.43 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.094 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.19 -43.49 84.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.786 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.2 p -66.64 -41.99 87.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.338 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.449 ' CG2' HD12 ' A' ' 112' ' ' LEU . 68.3 mt -63.13 -41.02 91.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 26' ' ' SER . 38.9 t -59.39 -44.35 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.09 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -64.33 -43.84 93.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.465 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -68.28 -41.46 80.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.588 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.597 HH11 HD13 ' A' ' 112' ' ' LEU . 70.1 ttt180 -74.72 -44.74 48.41 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.002 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.524 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 63.0 -66.1 0.09 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.252 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.576 ' NH2' ' CZ ' ' B' ' 33' ' ' ARG . 42.6 ttm-85 70.21 -38.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 123.413 0.446 . . . . 0.0 110.306 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.524 ' H ' ' C ' ' B' ' 34' ' ' ALA . 33.9 ttm180 -106.14 -0.72 24.44 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.607 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.484 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.7 OUTLIER 65.68 62.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.055 0.455 . . . . 0.0 109.845 179.325 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.551 HH21 ' CD ' ' A' ' 87' ' ' GLU . 2.4 mtp85 -56.17 -33.62 65.41 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.163 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' B' ' 39' ' ' MET . 1.8 mpt? -69.48 -63.14 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.77 -42.21 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.093 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 44.2 t -56.34 -43.25 78.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.298 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.468 ' O ' ' C ' ' B' ' 43' ' ' LEU . 4.0 m120 -94.32 -3.27 50.78 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.947 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.543 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.007 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 4' ' ' LEU . 56.2 t0 -148.41 -83.35 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 53.0 mt 43.07 -87.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.238 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.563 ' N ' ' O ' ' A' ' 2' ' ' ASP . 79.1 mt -87.04 175.24 8.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.382 179.883 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 m -70.66 149.13 47.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.376 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 10' ' ' VAL . 54.7 mp0 -54.32 -32.68 57.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.589 -179.692 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.546 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 1.3 mp0 -57.02 -35.92 69.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.867 0.365 . . . . 0.0 110.348 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.09 -53.9 13.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.172 0.511 . . . . 0.0 110.411 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.68 -39.07 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.138 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 6' ' ' GLU . 25.5 t -59.17 -48.67 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.322 -179.595 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 7' ' ' GLU . 1.3 m-20 -54.76 -52.76 61.56 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 120.446 -0.502 . . . . 0.0 109.984 -179.308 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -62.61 -40.65 97.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.033 179.311 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -60.72 -42.69 97.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.477 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -55.88 -52.73 63.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.23 -179.696 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.17 75.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.996 0.426 . . . . 0.0 110.44 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.523 ' CE1' ' OD2' ' A' ' 20' ' ' ASP . 3.1 t80 -60.07 -47.28 86.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.233 179.415 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.97 -37.43 58.11 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.094 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.14 -43.36 92.14 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.802 179.596 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.42 -35.65 76.3 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.807 -179.312 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.523 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 96.9 m-20 -93.38 82.88 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.562 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' NZ ' HG22 ' A' ' 35' ' ' VAL . 14.7 mptt -56.18 -42.08 76.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.926 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 23' ' ' GLY . 53.4 p-10 -91.71 38.73 0.99 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 -179.529 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.54 65.92 0.01 OUTLIER Glycine 0 C--N 1.344 0.987 0 O-C-N 123.927 0.767 . . . . 0.0 111.705 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 50.5 p-10 -91.98 -24.67 19.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.741 0.305 . . . . 0.0 110.489 -179.146 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 115.52 -26.98 8.68 Favored Glycine 0 N--CA 1.466 0.678 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.4 p -125.07 174.49 8.0 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 117.096 0.448 . . . . 0.0 109.915 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.3 mt -114.52 118.62 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.957 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -90.23 -173.66 3.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.544 HG21 ' NE2' ' A' ' 49' ' ' GLN . 43.6 t -83.85 -43.54 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.62 179.603 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -64.69 -40.03 94.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.591 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 39.0 mt-10 -68.68 -49.98 54.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.356 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 32' ' ' LEU . 5.8 tt -60.32 -40.09 89.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.027 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.74 98.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.259 179.345 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.5 m -57.67 -46.47 84.22 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.416 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.417 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 97.5 t -59.8 -45.62 94.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 40' ' ' ASP . 79.1 mt -63.43 -43.34 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 178.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -51.77 -46.0 63.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.67 -178.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.9 t -75.36 -39.93 58.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.217 0.532 . . . . 0.0 110.61 179.141 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -4.28 40.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.81 -178.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' ILE . 21.0 m-20 -150.17 -124.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.392 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -127.01 -108.31 0.31 Allowed 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.637 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -144.53 77.34 13.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.711 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.56 165.44 27.14 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.92 2.413 . . . . 0.0 111.794 179.605 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 m -78.0 133.44 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 48' ' ' LEU . 72.6 tt0 -53.35 -46.36 69.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.573 179.701 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -40.89 -42.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 0.0 110.619 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.06 -33.89 76.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.325 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' GLU . 9.3 mp -74.6 -45.0 48.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 179.501 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.544 ' NE2' HG21 ' A' ' 29' ' ' VAL . 18.5 mm-40 -68.19 -31.34 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.91 -54.05 15.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.1 ttp -57.05 -44.73 83.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.606 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.6 mt -67.82 -38.62 80.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.397 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 t -66.27 -38.4 87.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -51.62 -39.49 58.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.576 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ALA . 97.4 t -99.52 -53.28 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.774 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 42.6 t0 -47.33 94.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.334 -179.666 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.56 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -44.97 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.983 -179.667 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 59' ' ' GLY . 21.3 p-10 -61.8 6.7 0.06 Allowed 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.56 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 17.18 60.34 0.01 OUTLIER Glycine 0 C--N 1.346 1.126 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 179.516 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 9.4 p-10 -89.86 -21.84 22.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.746 0.308 . . . . 0.0 110.632 -179.037 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.33 7.86 39.41 Favored Glycine 0 N--CA 1.463 0.438 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.551 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 15.9 p -133.41 123.69 25.8 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.492 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.0 mt -97.77 124.12 50.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -89.55 170.72 10.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.334 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -55.07 -43.73 74.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.336 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.29 -42.54 95.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -72.03 -43.6 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.652 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.55 -44.51 93.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.087 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.7 tt -63.12 -45.81 90.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.066 0.46 . . . . 0.0 110.267 -179.677 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.9 m -59.59 -44.23 93.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.47 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mt -59.83 -47.98 83.52 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.598 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.514 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -69.5 -40.91 76.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.951 0.405 . . . . 0.0 110.952 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.44 -36.33 77.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.6 -179.384 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -62.21 1.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.669 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.56 ' O ' ' C ' ' A' ' 76' ' ' VAL . 43.3 tptt -45.84 -81.57 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.289 -179.09 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.589 ' O ' ' CB ' ' A' ' 77' ' ' LYS . 95.2 t -9.46 123.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.953 0 O-C-N 124.539 1.15 . . . . 0.0 110.81 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.589 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 45.4 tttp 98.17 106.63 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.674 1.234 . . . . 0.0 110.825 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 27.2 t0 90.9 13.03 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.084 0.865 . . . . 0.0 111.066 178.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.508 ' OG1' ' NH2' ' B' ' 38' ' ' ARG . 22.6 p -66.04 48.04 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.751 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 78' ' ' ASP . 90.4 m-20 61.79 144.63 0.02 OUTLIER 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.557 0.536 . . . . 0.0 111.221 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.11 -54.6 6.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.906 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -53.79 -17.03 2.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.552 -179.642 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -89.28 -50.75 5.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.728 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.459 ' OE2' ' OG1' ' A' ' 79' ' ' THR . 90.1 mt-10 -67.73 -35.69 79.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.986 0.422 . . . . 0.0 110.13 179.669 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.538 HD21 HG22 ' A' ' 142' ' ' VAL . 1.1 tp -76.19 -35.9 58.89 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.548 -179.061 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -84.66 -45.22 12.7 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.869 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -62.78 -46.93 85.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.201 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.44 -52.03 67.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.891 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.31 -41.09 83.71 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.211 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -55.69 -35.89 66.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 -179.665 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.5 t -73.34 -57.73 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 3.7 m-85 -56.64 -47.56 79.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.021 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.616 ' O ' ' N ' ' A' ' 96' ' ' GLN . 40.0 t0 -86.64 56.54 4.05 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.556 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -38.53 -51.83 1.6 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.832 0.349 . . . . 0.0 110.871 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.455 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.1 m-20 -64.46 -19.68 65.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.553 -179.321 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.616 ' N ' ' O ' ' A' ' 93' ' ' ASP . 88.7 mt-30 60.43 11.13 2.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.448 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.432 ' O ' ' CE2' ' A' ' 99' ' ' TYR . 28.5 p-10 -59.85 -0.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 89.54 4.7 73.01 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.432 ' CE2' ' O ' ' A' ' 97' ' ' ASN . 5.3 m-85 -136.57 141.88 43.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.633 0.254 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.2 mt -97.64 114.19 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.961 0.41 . . . . 0.0 109.926 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.5 t -82.77 149.32 27.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.708 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.06 -42.74 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 72.3 p -60.0 -40.95 90.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.589 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.455 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 90.7 mt-10 -64.51 -57.95 7.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.274 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.412 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 54.9 tp -60.06 -22.41 62.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.485 ' O ' HG22 ' A' ' 110' ' ' ILE . 73.1 ttt-85 -82.6 -41.48 19.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.968 179.654 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -57.31 -53.09 62.02 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.966 -179.736 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 112' ' ' LEU . 11.2 t -60.67 -64.97 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.979 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 108' ' ' VAL . 1.5 mmt -32.13 -76.87 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.492 0.495 . . . . 0.0 110.976 -179.486 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.618 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.9 tt -49.31 -47.49 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.722 -179.105 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.618 ' N ' HG23 ' A' ' 110' ' ' ILE . 48.5 t30 -66.42 -8.89 28.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 -179.692 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 108' ' ' VAL . 9.5 tp -89.2 14.56 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.955 -179.395 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.76 67.44 1.57 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -171.66 138.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.321 . . . . 0.0 110.297 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 98.61 8.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.34 . . . . 0.0 110.592 -179.733 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.1 mt -109.4 130.05 55.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.494 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.4 p -70.73 169.74 13.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.251 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 17.2 p-10 -64.09 -31.97 73.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.502 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.44 -49.54 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.476 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 26.8 tp10 -57.91 -44.09 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.262 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.6 t -65.59 -43.71 93.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.389 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -59.49 -26.31 65.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.308 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.416 ' O ' ' OE1' ' A' ' 127' ' ' GLU . 71.3 mt-30 -76.82 -65.05 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.495 179.231 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.0 ttt -39.73 -51.65 2.33 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.915 0.388 . . . . 0.0 111.009 -179.247 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.571 HG23 ' N ' ' A' ' 126' ' ' LYS . 9.7 tp -63.25 -44.97 99.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.61 -179.751 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.571 ' N ' HG23 ' A' ' 125' ' ' ILE . 64.2 tttp -65.91 -32.36 73.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.766 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 123' ' ' GLN . 2.1 mp0 -74.46 -55.86 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.356 -179.221 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.557 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -52.12 -30.18 25.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.393 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 22.0 t0 -83.75 100.61 11.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.862 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.8 mt -73.66 -38.51 64.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.425 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 20.0 p-10 -92.05 1.9 56.91 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 -179.356 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 54.4 112.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.877 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.454 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 10.8 m-20 -158.56 10.88 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.784 0.325 . . . . 0.0 110.548 179.813 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.49 0.6 12.23 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -148.82 160.67 43.01 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.875 0.369 . . . . 0.0 110.427 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.8 t -117.91 125.51 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 CA-C-O 121.153 0.502 . . . . 0.0 110.538 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 1.5 m-20 -88.24 150.08 23.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.375 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.538 ' CE2' HG21 ' A' ' 142' ' ' VAL . 68.3 t80 -45.84 -42.1 11.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.145 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.63 -49.91 75.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.83 -40.36 97.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.136 179.587 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -60.2 -52.38 65.56 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.92 0.39 . . . . 0.0 110.497 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.538 HG22 HD21 ' A' ' 85' ' ' LEU . 52.1 t -57.95 -44.49 86.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.045 -179.471 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.453 ' O ' ' OG1' ' A' ' 147' ' ' THR . 25.0 mtpp -64.22 -37.06 86.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.919 0.39 . . . . 0.0 111.207 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -35.64 78.87 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.2 ttm -90.46 -15.44 30.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.025 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.503 ' O ' ' OG1' ' A' ' 147' ' ' THR . 3.9 mmt -124.39 46.12 2.36 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.259 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.633 ' C ' ' H ' ' A' ' 149' ' ' ARG . 1.3 m -173.59 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.674 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.503 ' O ' HG12 ' A' ' 148' ' ' VAL . 98.8 t 57.96 -7.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.005 -179.047 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.633 ' H ' ' C ' ' A' ' 147' ' ' THR . 84.3 mtp180 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.821 -1.085 . . . . 0.0 110.28 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -62.13 -43.94 97.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.399 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -65.34 -39.17 92.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.588 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.476 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 10.8 tpp85 -59.96 -46.33 89.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.47 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.557 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 8.8 m95 -66.7 -47.27 72.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.956 0.408 . . . . 0.0 110.031 179.009 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -64.12 -37.89 89.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.783 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 68.3 m -61.22 -43.44 98.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.17 179.358 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.755 ' O ' HG23 ' B' ' 30' ' ' VAL . 50.2 p -60.18 -43.66 95.68 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.31 -43.88 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.223 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -65.25 -46.73 79.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.264 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.98 -41.63 91.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.602 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.755 HG23 ' O ' ' B' ' 26' ' ' SER . 54.0 t -61.31 -42.78 94.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.004 179.437 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.404 ' HD3' ' H ' ' A' ' 77' ' ' LYS . 3.8 ttmp? -57.8 -46.04 85.2 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.066 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -65.25 -39.15 92.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.057 179.132 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.671 ' O ' ' N ' ' B' ' 35' ' ' ARG . 61.5 ttp180 -63.91 -45.75 87.91 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.626 -179.768 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.595 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 47.07 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 O-C-N 123.67 0.606 . . . . 0.0 110.663 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.671 ' N ' ' O ' ' B' ' 33' ' ' ARG . 44.1 ttm180 66.57 -33.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.537 0.523 . . . . 0.0 110.068 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.595 ' H ' ' C ' ' B' ' 34' ' ' ALA . 55.5 ttm-85 -87.73 -8.49 55.99 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.121 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.497 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.9 OUTLIER 67.03 42.46 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.407 179.38 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.508 ' NH2' ' OG1' ' A' ' 79' ' ' THR . 14.5 mtm180 -38.13 -34.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.668 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.0 ttt -65.05 -71.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.66 -43.06 98.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.469 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.4 m -54.7 -44.96 73.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.526 -179.465 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.404 ' C ' HD22 ' B' ' 43' ' ' LEU . 42.7 t-20 -63.58 -41.94 98.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.375 179.841 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.557 HD22 ' N ' ' B' ' 43' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.423 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' A' ' 3' ' ' ILE . . . . . . . . 0 N--CA 1.486 1.352 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 1' ' ' ALA . 99.7 m-20 33.51 -85.53 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.811 0.694 . . . . 0.0 110.986 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.644 HG22 ' N ' ' A' ' 4' ' ' LEU . 95.9 mt -63.73 166.33 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.45 179.304 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.644 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER 72.52 139.56 0.05 Allowed 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 123.832 0.707 . . . . 0.0 110.409 179.838 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.622 ' N ' HD12 ' A' ' 4' ' ' LEU . 44.5 t -113.67 162.52 16.14 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 121.255 0.55 . . . . 0.0 110.284 178.435 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -57.52 -27.03 62.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.558 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -48.17 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.834 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -49.22 -45.16 44.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 mm -61.21 -44.03 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.234 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.0 t -55.64 -46.97 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -54.39 -48.27 71.74 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.38 0.609 . . . . 0.0 109.889 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -62.94 -41.95 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.033 178.374 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -56.79 -37.54 71.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.994 -179.572 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.13 -50.19 71.4 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.371 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.0 -42.54 63.07 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.089 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.534 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 18.3 t80 -59.98 -45.79 91.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.173 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.91 -41.13 58.59 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.59 -42.98 99.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.563 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 15.0 m-85 -62.21 -40.73 97.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.582 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.534 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 93.3 m-20 -105.85 74.97 1.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.721 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -53.84 -18.35 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.8 p30 -106.67 34.34 3.46 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.27 61.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.891 -0.483 . . . . 0.0 111.891 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 75.5 m-20 -86.61 -29.45 22.56 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 120.364 -0.535 . . . . 0.0 109.768 -178.256 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.507 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 105.42 7.71 36.75 Favored Glycine 0 N--CA 1.467 0.76 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.645 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 41.5 m -154.76 157.28 37.75 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 120.873 0.368 . . . . 0.0 110.291 179.732 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 98.8 mt -112.91 116.52 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.241 179.401 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 m -104.67 151.73 23.35 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.753 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.5 t -49.8 -42.67 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.116 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.71 -59.5 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.579 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 60.2 mt-10 -59.11 -46.18 88.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.002 0.429 . . . . 0.0 110.044 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.94 -40.28 97.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.644 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.98 -46.67 89.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.975 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.431 ' OG1' ' NH2' ' A' ' 37' ' ' ARG . 20.6 m -55.24 -42.81 73.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.105 179.639 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.57 -47.86 91.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.4 mt -65.01 -45.05 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.756 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.431 ' NH2' ' OG1' ' A' ' 34' ' ' THR . 88.4 mtm180 -54.19 -43.05 70.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.285 -179.411 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.61 ' C ' ' H ' ' A' ' 40' ' ' ASP . 4.6 t -63.26 -30.06 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.085 178.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' CD2' ' OG ' ' B' ' 41' ' ' SER . 0.7 OUTLIER -62.23 10.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.61 ' H ' ' C ' ' A' ' 38' ' ' SER . 2.2 t70 80.75 -13.36 0.94 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.539 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -113.67 139.11 49.33 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -129.31 80.38 72.4 Favored Pre-proline 0 N--CA 1.466 0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.159 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.41 155.79 50.29 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.961 2.441 . . . . 0.0 112.1 179.468 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 44' ' ' THR . 0.6 OUTLIER -63.33 143.63 57.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.446 179.815 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -63.4 -28.72 70.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.679 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 81.1 tt0 -60.49 -62.37 1.91 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.955 -179.266 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.502 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 38.5 tp10 -59.58 -27.24 66.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.111 0.481 . . . . 0.0 110.575 -179.609 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 48' ' ' LEU . 33.6 tp -80.44 -39.92 27.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -68.56 -42.25 78.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.042 -178.506 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 51' ' ' MET . 2.5 p30 -72.53 -44.72 61.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.752 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.554 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 35.0 ttp -57.76 -45.99 85.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.588 -179.438 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.82 -42.23 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.009 179.21 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.1 p -74.11 -27.64 60.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 -179.516 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 50' ' ' ASP . 83.2 tt0 -65.24 -43.35 91.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.54 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 82.6 t -75.75 -44.26 39.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.683 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.439 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 10.5 t0 -76.04 108.47 8.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.29 -179.168 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.573 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -43.9 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.1 p30 -60.02 4.13 0.05 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.573 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 18.08 60.22 0.01 OUTLIER Glycine 0 C--N 1.344 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.525 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.745 HD22 ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -82.45 -17.54 44.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.737 0.304 . . . . 0.0 110.555 -178.827 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.745 ' N ' HD22 ' A' ' 60' ' ' ASN . . . 102.86 4.73 48.31 Favored Glycine 0 N--CA 1.464 0.505 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.464 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.735 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 21.9 p -135.19 124.19 24.21 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.513 179.674 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.6 mt -92.03 124.39 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.252 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.07 171.93 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.375 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -55.14 -46.09 75.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.48 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.64 -42.25 96.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.86 0.362 . . . . 0.0 110.821 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -71.86 -48.17 47.83 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.551 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -56.79 -45.21 82.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 69' ' ' LEU . 2.8 tt -58.79 -59.86 4.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.63 -178.757 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.4 m -64.27 -43.47 94.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.077 0.465 . . . . 0.0 111.197 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.705 HD23 ' C ' ' A' ' 71' ' ' LEU . 5.6 tt -46.29 -48.16 18.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.698 -179.275 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.532 ' N ' HD23 ' A' ' 71' ' ' LEU . 5.3 tpt -85.18 -61.21 1.82 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.153 -178.882 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.19 -32.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.975 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -88.33 -61.32 1.74 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.438 -179.768 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' O ' HG23 ' A' ' 76' ' ' VAL . 26.1 mtpp -61.73 94.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.116 -179.545 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.618 ' O ' HG12 ' A' ' 76' ' ' VAL . 44.9 t -156.22 79.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.562 179.015 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' A' ' 79' ' ' THR . 62.5 tttm -127.68 -105.24 0.32 Allowed 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 119.084 -0.484 . . . . 0.0 109.894 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' LYS . 99.2 m-20 24.99 -82.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 O-C-N 124.091 0.869 . . . . 0.0 111.425 -179.73 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.604 ' N ' ' O ' ' A' ' 77' ' ' LYS . 55.3 m 60.52 146.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.82 0.7 . . . . 0.0 110.11 178.406 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 18.8 t0 -156.49 138.33 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.24 179.847 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.522 ' N ' ' OD1' ' A' ' 80' ' ' ASP . . . -63.8 -58.49 6.66 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.435 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -54.62 -32.64 59.2 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.104 0.478 . . . . 0.0 111.487 -179.511 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -76.08 -47.3 25.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.179 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 30.1 tt0 -76.64 -32.01 57.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.105 0.478 . . . . 0.0 110.675 -179.489 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.64 -40.15 92.19 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.292 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -83.46 -43.73 15.5 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.284 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 91' ' ' VAL . 78.6 tt0 -64.41 -38.27 90.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.233 -179.523 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -66.74 -59.22 3.76 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.139 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -54.05 -41.99 68.74 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -59.01 -37.75 77.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 87' ' ' GLU . 70.6 t -74.15 -51.63 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.967 0.413 . . . . 0.0 110.656 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 8.3 m-30 -60.66 -48.41 81.9 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.639 -179.566 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 96' ' ' GLN . 34.8 t0 -84.19 68.2 10.04 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.307 0.379 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -40.88 -59.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.178 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 55.6 p-10 -66.9 -4.14 8.68 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.98 -179.54 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 93' ' ' ASP . 12.0 pt20 34.89 59.26 0.7 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.483 0.49 . . . . 0.0 110.706 179.292 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -96.98 3.05 52.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.417 -179.244 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.8 1.72 58.62 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.471 ' CG ' ' NE2' ' A' ' 135' ' ' GLN . 2.7 m-85 -145.49 150.05 35.76 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 110.156 179.671 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.0 mt -97.65 117.24 42.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.222 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 m -84.93 147.92 26.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.349 179.566 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.9 -45.54 74.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.635 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.522 ' OG ' ' NE2' ' A' ' 107' ' ' HIS . 11.7 t -60.7 -44.09 96.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 110.635 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -59.53 -55.14 38.31 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 121.073 0.463 . . . . 0.0 110.443 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.621 HD21 ' SD ' ' A' ' 124' ' ' MET . 43.2 tp -62.43 -21.41 65.4 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.393 179.17 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.478 ' O ' HG22 ' A' ' 110' ' ' ILE . 60.6 ttp180 -82.45 -41.56 19.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.793 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.552 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 37.8 m-70 -56.33 -50.79 70.46 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.607 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 109' ' ' MET . 13.9 t -62.32 -63.88 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.898 179.536 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -32.12 -74.68 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.517 0.51 . . . . 0.0 111.233 -179.098 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.629 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.7 tt -49.05 -47.97 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.629 ' N ' HG23 ' A' ' 110' ' ' ILE . 94.4 m-20 -61.45 -15.49 37.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.278 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 108' ' ' VAL . 3.7 mp -113.77 7.69 17.21 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 179.168 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.57 109.3 3.3 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 2.7 tt0 -172.47 179.22 2.55 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.125 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 12.5 mttp 161.77 52.42 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.599 0.714 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.498 HD11 ' NH1' ' B' ' 22' ' ' ARG . 22.8 mt -104.9 138.03 41.75 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.764 -179.917 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.6 p -48.57 150.0 1.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.598 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -45.44 -42.37 10.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.496 -179.749 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -56.41 -46.61 80.11 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.36 0.6 . . . . 0.0 110.501 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -63.56 -38.49 91.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.238 179.174 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.43 ' O ' ' HB3' ' A' ' 124' ' ' MET . 57.6 t -58.96 -42.47 86.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.42 0.628 . . . . 0.0 109.638 179.368 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -54.31 -57.76 9.99 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.601 -0.439 . . . . 0.0 109.916 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -55.45 -26.04 39.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.485 0.66 . . . . 0.0 110.954 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.621 ' SD ' HD21 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -60.24 -54.77 41.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.373 -179.4 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.2 tt -86.21 -29.37 6.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.047 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -60.03 -27.3 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.607 -178.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -68.6 -49.73 57.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.16 -179.289 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.29 -6.73 52.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.174 0.511 . . . . 0.0 110.652 -179.696 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.485 ' OD1' ' O ' ' A' ' 132' ' ' GLY . 0.2 OUTLIER -88.82 91.61 8.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.558 179.66 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.633 HD22 ' N ' ' A' ' 130' ' ' LEU . 3.8 mm? -70.11 -57.63 4.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.805 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -91.77 1.05 57.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.0 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.61 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 70.72 -75.53 0.56 Allowed Glycine 0 C--O 1.224 -0.491 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.952 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.571 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 6.1 p30 40.74 16.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.665 0.269 . . . . 0.0 110.422 -179.042 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 75.7 -20.14 2.38 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.463 -0.399 . . . . 0.0 112.299 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.571 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 12.9 pt20 -136.88 174.44 10.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.785 0.802 . . . . 0.0 110.837 -178.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.7 t -110.2 123.01 65.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.828 179.38 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.9 OUTLIER -80.53 154.68 27.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.409 179.504 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.419 ' CE1' HG21 ' A' ' 142' ' ' VAL . 40.6 t80 -55.38 -44.35 76.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -54.74 -44.42 73.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.252 -179.567 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.32 -38.22 88.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.312 179.521 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.01 -48.19 82.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.793 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.419 HG21 ' CE1' ' A' ' 138' ' ' TYR . 88.2 t -60.6 -44.42 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.673 -179.712 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.405 ' O ' ' OG1' ' A' ' 147' ' ' THR . 51.3 mtpt -60.25 -41.41 93.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.053 -179.35 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.515 ' O ' ' SD ' ' A' ' 144' ' ' MET . 6.0 tmm? -72.64 -37.7 67.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.129 0.49 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.473 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 2.2 tpt -63.56 -33.73 76.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.935 -179.483 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.8 mmt -80.27 -55.34 4.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 -179.332 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 143' ' ' LYS . 0.5 OUTLIER -46.8 -63.99 0.88 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.174 -179.217 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 145' ' ' MET . 4.7 t 43.78 59.22 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.334 -179.357 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.467 ' O ' ' NE ' ' B' ' 20' ' ' ARG . 40.6 ptt180 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.558 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.467 ' NE ' ' O ' ' A' ' 149' ' ' ARG . 25.2 mtm-85 -59.81 -47.26 86.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -66.07 -40.74 91.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.56 -179.099 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.498 ' NH1' HD11 ' A' ' 116' ' ' LEU . 84.7 mtt-85 -61.6 -42.33 98.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.984 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.574 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 3.6 m95 -60.88 -48.39 82.03 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.034 178.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -66.03 -34.0 77.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.774 179.27 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.4 t -60.59 -46.89 88.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.149 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.463 ' O ' HG23 ' B' ' 30' ' ' VAL . 28.7 m -60.75 -43.8 97.52 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.259 179.404 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.8 t -67.66 -42.83 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.207 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -61.58 -42.52 98.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.56 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 56.6 mt -61.34 -41.96 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.757 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 26' ' ' SER . 64.0 t -60.35 -40.06 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.523 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -60.03 -46.68 88.73 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.229 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -67.23 -38.72 85.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.134 178.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.623 ' NH2' ' NH2' ' B' ' 35' ' ' ARG . 58.5 ttt85 -67.74 -44.38 77.72 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.341 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . 36.83 92.08 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.203 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.623 ' NH2' ' NH2' ' B' ' 33' ' ' ARG . 6.3 mmt85 -93.72 7.91 43.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.47 179.677 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.418 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 90.1 mtt-85 -130.73 1.38 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER 62.05 45.96 6.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.419 179.572 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.525 ' NE ' ' OE1' ' A' ' 87' ' ' GLU . 65.7 mtp180 -39.73 -37.6 0.55 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.992 0.425 . . . . 0.0 110.653 -179.279 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 85.1 mmm -67.39 -68.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.156 -179.498 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.56 -43.09 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.588 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.487 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 30.2 t -55.33 -44.68 76.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.222 -179.229 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -64.16 -41.56 97.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 179.546 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.536 ' N ' HD12 ' B' ' 43' ' ' LEU . 10.5 mp . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.38 -179.823 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -116.89 -34.64 4.37 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.659 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.2 tt -117.62 153.92 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.813 -179.694 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.8 30.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.343 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -101.08 164.51 11.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.767 179.598 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -57.63 -14.52 5.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.76 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 7' ' ' GLU . 11.6 mp0 -60.54 -57.44 12.71 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.941 0.4 . . . . 0.0 110.54 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -47.06 -40.25 14.59 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.091 -179.515 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.7 mm -66.33 -42.71 91.14 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.293 179.152 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.89 -47.73 85.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.704 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.81 -53.62 54.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.301 0.572 . . . . 0.0 110.233 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -58.21 -42.57 86.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.621 179.362 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -62.03 -40.27 95.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.418 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -58.88 -51.61 69.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.377 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.44 -37.78 70.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.936 0.398 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 59.2 t80 -63.72 -47.57 80.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.602 179.068 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.24 -36.02 61.51 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.456 -1.057 . . . . 0.0 110.456 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.55 -46.01 77.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.681 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.539 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 8.2 m-85 -56.0 -34.35 65.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.165 -179.407 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.417 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 97.9 m-20 -103.31 79.8 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.846 -179.678 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' NZ ' HG22 ' A' ' 35' ' ' VAL . 46.9 mttm -56.92 -15.98 5.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.276 -179.212 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' GLY . 50.6 p30 -117.14 35.1 4.79 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.763 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.35 56.45 0.01 OUTLIER Glycine 0 C--N 1.349 1.288 0 O-C-N 123.963 0.789 . . . . 0.0 111.781 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 25.8 p-10 -81.96 -27.61 33.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.933 0.397 . . . . 0.0 110.764 -178.913 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.37 7.27 28.49 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 20.7 m -159.51 163.01 35.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.4 mt -116.69 119.4 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 m -97.14 151.57 19.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.017 0.436 . . . . 0.0 111.134 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.0 t -46.01 -41.69 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.119 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.31 -56.91 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -57.0 -45.14 83.23 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -61.47 -41.43 97.23 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.881 -178.587 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.64 -47.92 78.68 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.759 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 m -60.16 -54.78 41.75 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.204 -179.257 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.412 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 83.9 t -48.27 -46.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.442 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.407 ' CD1' HD12 ' A' ' 32' ' ' LEU . 77.3 mt -62.47 -43.62 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.602 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.81 -29.8 65.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.944 0.402 . . . . 0.0 110.676 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.427 ' C ' ' H ' ' A' ' 40' ' ' ASP . 25.0 p -56.78 -31.32 64.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.389 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 41' ' ' GLN . 5.7 mp -75.74 13.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.366 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 38' ' ' SER . 11.8 t0 72.73 -18.6 0.34 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.49 ' H ' ' C ' ' A' ' 39' ' ' LEU . 77.9 mt-30 -78.45 168.65 19.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.289 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -156.74 84.15 3.11 Favored Pre-proline 0 C--N 1.323 -0.554 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.703 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -75.61 170.62 19.85 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.796 2.331 . . . . 0.0 111.942 -179.728 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.518 HG22 ' H ' ' A' ' 46' ' ' GLU . 73.8 m -79.91 155.76 27.6 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.549 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.437 ' N ' HG22 ' A' ' 44' ' ' THR . 12.2 pt-20 -73.67 -40.74 63.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.534 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.518 ' H ' HG22 ' A' ' 44' ' ' THR . 80.7 mm-40 -49.31 -60.87 2.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.506 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.59 -67.45 0.33 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -43.66 -46.02 7.17 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.616 -178.667 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 66.3 tt0 -66.09 -37.14 85.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.255 179.635 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -66.93 -43.87 82.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.498 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.6 tmm? -60.15 -45.7 92.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.774 -179.398 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.412 HG12 HD11 ' A' ' 63' ' ' ILE . 27.2 mt -70.28 -28.8 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.971 0.415 . . . . 0.0 110.32 179.358 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.9 m -68.36 -46.77 69.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.277 -179.46 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -62.55 -37.62 86.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.369 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 t -80.6 -44.8 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.645 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 60' ' ' ASN . 34.3 t0 -69.07 100.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.415 -179.488 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.563 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -49.73 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.913 -179.637 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 59' ' ' GLY . 32.6 p-10 -63.04 8.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.578 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 28.63 62.84 0.12 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.459 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.615 ' CG ' ' HG1' ' A' ' 62' ' ' THR . 38.7 p30 -101.31 26.61 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.464 -179.055 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 49.7 18.95 1.94 Allowed Glycine 0 CA--C 1.518 0.221 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.615 ' HG1' ' CG ' ' A' ' 60' ' ' ASN . 22.7 p -138.46 138.18 37.87 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.692 0.282 . . . . 0.0 110.315 179.445 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.412 HD11 HG12 ' A' ' 52' ' ' ILE . 52.1 mt -102.06 129.82 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.834 0.35 . . . . 0.0 110.47 -179.625 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -94.11 154.92 17.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.359 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -44.0 -50.16 8.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.545 -179.335 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -60.89 -36.78 80.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.394 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.24 -48.35 57.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.497 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.0 -42.77 99.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.296 179.56 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.427 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -58.27 -62.34 1.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.674 -178.778 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.7 p -59.61 -37.28 78.16 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.283 -179.006 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 71' ' ' LEU . 3.0 tm? -62.03 -51.92 66.04 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.801 -178.796 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.558 ' SD ' ' SD ' ' B' ' 39' ' ' MET . 8.0 tpt -73.33 -40.48 64.42 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.413 -179.049 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.4 -23.68 65.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.756 -179.64 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -57.98 -64.58 0.86 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.729 -179.359 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 76' ' ' VAL . 49.9 tptt -42.13 -79.88 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.264 -178.338 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.515 ' C ' ' O ' ' A' ' 75' ' ' LYS . 10.1 t -17.47 108.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 124.296 0.997 . . . . 0.0 110.606 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -170.73 -86.77 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.486 -179.052 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -167.04 -52.86 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.44 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.4 p 54.78 -134.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.686 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 8.8 t0 -76.79 143.46 39.81 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.463 0.649 . . . . 0.0 110.939 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.498 ' N ' ' OD1' ' A' ' 80' ' ' ASP . . . -73.47 -54.86 7.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.776 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.54 -17.42 13.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.11 0.481 . . . . 0.0 110.51 -179.416 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -81.11 -53.64 6.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.435 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.559 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 73.6 mm-40 -72.24 -36.56 69.13 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.258 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.772 HD21 HG22 ' A' ' 142' ' ' VAL . 10.3 tp -67.14 -39.73 86.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.691 -179.332 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -80.36 -43.39 21.2 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 91' ' ' VAL . 11.4 tm-20 -57.61 -42.98 84.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.152 0.501 . . . . 0.0 110.069 -179.8 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.14 -56.05 22.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.923 179.446 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.478 ' CZ ' ' CG ' ' A' ' 93' ' ' ASP . 80.8 t80 -55.88 -38.25 69.9 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.278 179.821 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -57.23 -37.86 72.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 87' ' ' GLU . 82.8 t -72.36 -51.56 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.807 179.306 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -62.52 -49.0 77.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.226 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' GLN . 0.9 OUTLIER -76.92 53.6 0.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.263 0.554 . . . . 0.0 109.74 -179.69 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -42.3 -59.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.307 -178.506 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.452 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 1.5 p-10 -69.01 -3.84 14.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.409 -179.818 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 93' ' ' ASP . 97.3 mt-30 46.43 47.66 13.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.498 179.555 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -87.79 -2.87 58.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.519 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.432 ' O ' ' OD1' ' A' ' 137' ' ' ASN . . . 92.03 1.47 70.0 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.433 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 6.3 m-85 -144.53 149.95 36.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.7 mt -97.85 115.2 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.556 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -89.49 148.98 23.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.224 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.19 -43.75 32.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.352 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.8 t -58.63 -40.78 84.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.386 . . . . 0.0 110.505 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 83.1 mt-10 -65.24 -51.87 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.101 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.6 tp -67.61 -26.79 66.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.365 179.655 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.502 ' O ' HG22 ' A' ' 110' ' ' ILE . 61.6 ttp180 -78.62 -45.54 21.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.144 179.556 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -56.75 -48.71 77.2 Favored 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.659 0.599 . . . . 0.0 109.657 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 109' ' ' MET . 52.0 t -63.04 -62.92 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.738 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' VAL . 1.4 mmt -31.8 -73.2 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.055 0.455 . . . . 0.0 111.046 -179.366 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.597 HG23 ' N ' ' A' ' 111' ' ' ASN . 15.7 tt -51.25 -45.5 32.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.753 -179.265 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.597 ' N ' HG23 ' A' ' 110' ' ' ILE . 24.8 t-20 -54.09 -12.01 0.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.541 -179.512 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.433 ' C ' HH12 ' B' ' 33' ' ' ARG . 88.3 mt -99.45 11.03 40.25 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.735 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.72 -55.09 1.4 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.77 111.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.817 0.342 . . . . 0.0 110.5 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -94.59 118.16 31.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.263 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 66.2 mt -110.49 136.66 49.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.424 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.2 p -69.73 168.31 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.515 -179.647 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -64.23 -23.48 67.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.298 -179.769 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -71.3 -46.48 60.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.942 0.401 . . . . 0.0 110.688 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.23 -44.35 84.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.62 -48.42 86.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.25 -27.05 68.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.986 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -67.71 -63.38 1.07 Allowed 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.984 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 5.0 ttp -53.24 -56.44 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.574 -178.103 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 126' ' ' LYS . 19.1 tt -50.96 -38.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.454 -179.377 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.433 ' N ' HG23 ' A' ' 125' ' ' ILE . 60.0 mttm -67.98 -35.74 78.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.76 178.843 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -77.79 -54.71 6.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.454 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -50.67 -38.45 46.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.705 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.551 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 37.4 t0 -69.58 108.18 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.02 -44.03 55.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.688 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.526 ' O ' ' O ' ' A' ' 132' ' ' GLY . 32.9 p30 -89.56 2.09 55.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.038 -179.104 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.526 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 48.44 113.11 0.01 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.352 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.551 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.3 m-20 -153.5 -12.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.238 -0.566 . . . . 0.0 110.657 179.817 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.415 ' H ' ' H ' ' A' ' 133' ' ' ASP . . . 102.73 -9.15 55.25 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.684 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -144.22 149.8 36.94 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.821 0.344 . . . . 0.0 110.397 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.4 t -100.14 124.48 53.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.287 0.565 . . . . 0.0 110.734 179.577 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 98' ' ' GLY . 54.8 t30 -86.73 155.8 20.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.413 179.346 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.507 ' CZ ' HG21 ' A' ' 142' ' ' VAL . 83.0 t80 -51.08 -42.24 60.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.109 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -61.1 -44.52 97.23 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.52 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.425 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 97.5 mt-10 -66.05 -41.94 90.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.154 179.471 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -61.75 -48.13 82.07 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.128 0.49 . . . . 0.0 110.345 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.772 HG22 HD21 ' A' ' 85' ' ' LEU . 28.1 t -60.98 -45.07 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.184 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -59.9 -36.04 76.13 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.22 -179.112 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 ttp -70.62 -30.28 66.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.979 0.418 . . . . 0.0 110.679 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.8 mmt -73.48 -27.16 61.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.009 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.12 63.21 1.41 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.541 -179.725 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.51 ' O ' ' C ' ' A' ' 148' ' ' VAL . 99.8 m -164.22 -34.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.502 179.622 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.51 ' C ' ' O ' ' A' ' 147' ' ' THR . 48.8 t -16.81 122.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 124.242 0.964 . . . . 0.0 111.082 -179.676 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 . . . . . 0 C--N 1.322 -0.609 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.687 -178.709 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.517 ' O ' ' SD ' ' A' ' 124' ' ' MET . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -57.46 -39.05 75.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.439 -179.823 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -63.44 -41.87 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.279 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -64.38 -39.31 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.283 179.578 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 2.8 m95 -62.25 -49.93 73.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.021 0.438 . . . . 0.0 110.011 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -65.57 -36.97 85.33 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.879 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m -60.5 -43.74 96.71 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.197 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 89.5 p -60.57 -43.28 97.49 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.286 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.461 ' O ' HG12 ' B' ' 30' ' ' VAL . 95.0 t -70.88 -41.34 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.601 0.715 . . . . 0.0 110.721 179.501 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.2 t -70.44 -39.61 74.25 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.303 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 65.5 mt -65.65 -43.62 93.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.754 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.461 HG12 ' O ' ' B' ' 27' ' ' VAL . 0.3 OUTLIER -63.29 -37.65 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.974 -179.424 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.559 ' NZ ' ' OE1' ' A' ' 84' ' ' GLU . 9.6 ttmm -77.01 -37.28 55.33 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.754 -179.302 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -78.78 -16.0 57.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.062 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.433 HH12 ' C ' ' A' ' 112' ' ' LEU . 24.1 ttm180 -89.75 -58.34 2.55 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.22 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 33.05 57.8 0.46 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.41 0.444 . . . . 0.0 110.896 -179.41 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -60.76 -6.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.169 -178.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.468 ' HB2' HD21 ' A' ' 39' ' ' LEU . 28.8 ptt180 -107.53 -4.46 18.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.539 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 1.5 m-85 66.18 48.43 1.68 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.621 -179.439 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -45.56 -31.37 1.8 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.851 0.358 . . . . 0.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.558 ' SD ' ' SD ' ' A' ' 72' ' ' MET . 45.7 mtt -68.22 -65.4 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.718 -179.486 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.92 -42.3 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.395 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -53.62 -45.56 70.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.197 -179.441 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -64.43 -40.61 96.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.335 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.408 -179.816 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.29 143.36 57.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.343 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 4' ' ' LEU . 1.1 mt -102.79 -158.69 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.337 -179.651 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.589 ' H ' HG22 ' A' ' 3' ' ' ILE . 80.0 mt -74.46 173.78 9.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.261 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -137.26 135.81 37.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.352 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 49.2 mp0 -55.7 -25.91 42.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.42 -179.712 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -53.27 -61.04 2.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.549 -179.819 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -47.92 -42.01 26.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.266 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.5 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.3 mp -68.97 -42.1 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.323 179.151 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 6' ' ' GLU . 25.6 t -60.78 -50.05 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.229 -179.559 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -59.74 -47.54 85.26 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.449 -0.5 . . . . 0.0 109.897 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.12 -43.36 99.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.55 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -63.72 -40.74 97.5 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.497 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' HD13 ' A' ' 18' ' ' LEU . 34.8 tp10 -56.95 -50.87 71.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.269 -179.762 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.34 77.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.159 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.7 -48.39 80.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.406 179.218 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.93 -33.32 63.54 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.606 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 14' ' ' GLU . 7.4 mp -66.75 -46.39 75.55 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.905 179.179 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -64.01 -36.17 83.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.656 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 58.8 t0 -92.04 80.18 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.26 0.553 . . . . 0.0 110.878 -179.254 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -64.85 -31.4 72.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.291 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 23' ' ' GLY . 54.3 p-10 -101.44 33.99 2.74 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.133 -179.212 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.511 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.6 57.76 0.01 OUTLIER Glycine 0 C--N 1.351 1.412 0 O-C-N 124.052 0.845 . . . . 0.0 111.857 179.338 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 21.6 p-10 -88.95 -25.38 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.393 . . . . 0.0 110.522 -178.753 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 111.02 -15.61 28.26 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' OD2' ' A' ' 24' ' ' ASP . 2.3 m -145.06 134.24 22.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.105 0.478 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.7 mt -80.9 124.0 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.3 m -94.88 152.69 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.624 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.4 t -45.98 -43.97 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.192 -179.563 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -61.81 -51.88 66.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.571 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.3 mt-10 -56.19 -46.41 79.4 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.698 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.8 tm? -64.01 -43.68 94.92 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.247 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.98 77.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.967 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.3 m -58.27 -43.49 87.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.513 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 31' ' ' GLU . 57.4 t -58.76 -47.04 90.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.514 -179.341 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.419 ' CD1' HD11 ' A' ' 32' ' ' LEU . 27.7 mt -61.09 -42.46 93.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.892 0.377 . . . . 0.0 110.213 -179.842 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -54.02 -41.7 68.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.19 -179.375 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -88.43 16.08 6.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.501 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.568 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -128.13 8.61 6.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.986 179.42 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -176.43 -105.36 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.427 ' CG ' ' H ' ' A' ' 42' ' ' ASN . 1.4 pt20 -129.56 -106.64 0.29 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.661 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.457 ' O ' ' O ' ' A' ' 43' ' ' PRO . 39.6 t30 -163.02 76.3 1.89 Allowed Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.444 -179.788 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 42' ' ' ASN . 50.3 Cg_exo -54.65 -140.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 123.034 2.49 . . . . 0.0 111.892 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.9 t -129.5 148.98 51.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.4 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -65.17 -29.98 70.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -54.44 -47.13 73.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 44' ' ' THR . 41.6 tp10 -60.29 -68.92 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.81 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.0 mt -46.25 -46.22 17.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.232 -179.01 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -57.97 -41.16 82.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.305 179.333 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -66.32 -49.06 68.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.625 179.522 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.8 ttm -62.89 -47.95 81.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.524 -179.453 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.618 ' CD1' HD11 ' A' ' 63' ' ' ILE . 33.8 mm -64.9 -27.42 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.236 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.4 t -82.95 -38.91 22.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.945 0.403 . . . . 0.0 111.415 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -57.97 -35.87 71.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.886 -178.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 57' ' ' ALA . 62.1 t -91.96 -52.86 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.119 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 52' ' ' ILE . 37.4 m-20 -37.43 96.35 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.976 0.417 . . . . 0.0 110.776 -179.528 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -87.36 6.64 32.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.571 179.41 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 59' ' ' GLY . 35.3 p-10 -128.58 17.9 6.35 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.6 39.91 0.04 OUTLIER Glycine 0 N--CA 1.469 0.864 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.759 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 43.5 p-10 -84.87 -29.03 25.59 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.617 0.246 . . . . 0.0 110.65 -179.336 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 90.92 2.4 71.82 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.462 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 22.6 p -137.59 156.89 47.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.709 0.29 . . . . 0.0 110.358 179.743 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.618 HD11 ' CD1' ' A' ' 52' ' ' ILE . 71.7 mt -103.61 128.05 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.044 -179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 97.0 mt-10 -101.63 162.24 13.05 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.32 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -42.23 -51.05 4.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 0.0 110.863 -179.356 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -61.48 -37.41 83.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.178 0.513 . . . . 0.0 110.085 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.491 ' HB2' ' H ' ' A' ' 64' ' ' GLU . 77.2 mt-10 -74.51 -42.06 59.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.669 179.286 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 24.2 t80 -59.8 -44.52 93.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.8 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 73' ' ' ALA . 1.4 tt -60.31 -45.86 91.92 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.305 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.4 t -56.09 -41.89 75.87 Favored 'General case' 0 C--O 1.255 1.356 0 CA-C-O 122.101 0.953 . . . . 0.0 110.535 179.612 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.568 ' O ' HD13 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -57.73 -49.98 74.74 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.187 -179.434 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.0 mmt -85.39 -10.75 55.84 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.536 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -58.26 -31.67 67.64 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.47 -6.73 7.93 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.043 178.785 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt 68.16 -110.75 0.11 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.715 0.634 . . . . 0.0 111.04 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.598 HG13 ' N ' ' A' ' 77' ' ' LYS . 5.6 p -134.64 -53.25 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.598 ' N ' HG13 ' A' ' 76' ' ' VAL . 62.1 tttm 174.35 144.56 0.05 Allowed 'General case' 0 CA--C 1.517 -0.29 0 O-C-N 123.677 0.611 . . . . 0.0 109.823 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' A' ' 77' ' ' LYS . 91.4 m-20 -18.45 -73.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.067 0.854 . . . . 0.0 111.242 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.538 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 2.1 m -162.67 -139.15 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 177.866 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.538 ' CG ' ' O ' ' A' ' 79' ' ' THR . 35.5 m-20 127.49 116.32 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 O-C-N 125.754 1.909 . . . . 0.0 111.094 179.219 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.32 -54.09 6.9 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.193 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -53.9 -25.2 19.03 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.205 -179.456 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -79.71 -62.57 1.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.868 179.848 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 98.5 mt-10 -65.99 -36.32 82.99 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.669 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.925 HD21 HG22 ' A' ' 142' ' ' VAL . 13.2 tp -67.18 -40.33 86.56 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.145 -179.322 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -81.98 -48.31 11.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.244 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.657 ' O ' HG23 ' A' ' 91' ' ' VAL . 81.0 mm-40 -60.13 -30.98 69.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.273 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' GLU . . . -69.07 -59.1 3.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.202 179.285 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 1.1 t80 -59.1 -31.07 68.59 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.07 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -65.47 -36.92 85.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -178.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 87' ' ' GLU . 99.2 t -75.74 -57.98 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.119 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -55.84 -43.94 77.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 11.9 t0 -84.53 65.24 8.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.062 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -44.84 -55.88 5.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.605 -178.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -76.85 0.95 18.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 -178.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.426 ' OE1' ' CE1' ' A' ' 89' ' ' PHE . 12.9 mm100 48.11 23.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.457 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -53.76 -11.83 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.594 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.427 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.88 -9.62 55.26 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 1.8 m-85 -138.32 145.29 41.0 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 120.62 0.248 . . . . 0.0 110.374 -179.662 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -89.14 116.38 30.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 p -84.97 152.12 23.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.166 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.21 81.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.78 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.2 m -59.39 -42.88 92.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.79 0.328 . . . . 0.0 110.638 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -65.9 -54.0 32.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.469 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.31 -24.64 65.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.412 179.82 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.454 ' O ' HG22 ' A' ' 110' ' ' ILE . 76.8 ttt180 -80.68 -41.87 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.926 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -55.31 -52.2 64.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.495 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 109' ' ' MET . 6.5 t -62.34 -62.64 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 120.199 -0.6 . . . . 0.0 110.033 179.43 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.463 ' CE ' ' OG ' ' B' ' 26' ' ' SER . 0.6 OUTLIER -32.16 -74.8 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.125 0.488 . . . . 0.0 111.179 -179.182 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.644 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.3 tt -52.28 -47.85 44.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.076 -178.804 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.644 ' N ' HG23 ' A' ' 110' ' ' ILE . 2.6 m120 -50.83 -12.86 0.12 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.755 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.554 HD11 ' NH1' ' B' ' 33' ' ' ARG . 7.4 mp -106.77 82.26 1.68 Allowed 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 18.23 60.1 0.01 OUTLIER Glycine 0 N--CA 1.471 0.967 0 O-C-N 124.329 1.018 . . . . 0.0 111.997 179.071 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -145.93 120.71 9.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.245 0.545 . . . . 0.0 110.601 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -95.68 93.34 7.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.534 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.447 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -110.11 140.14 44.51 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.361 -179.733 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.8 p -88.4 177.82 6.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.379 179.371 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 18.5 p-10 -65.57 -28.59 69.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 179.743 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.97 -53.62 14.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -53.38 -41.18 65.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.002 0.43 . . . . 0.0 110.308 -179.542 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 82.9 t -64.78 -43.94 96.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.237 0.541 . . . . 0.0 110.128 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.31 -22.04 64.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.424 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -75.13 -57.42 3.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.647 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.497 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 21.3 ptm -58.69 -45.06 90.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 -178.909 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.497 ' N ' ' CG ' ' A' ' 124' ' ' MET . 3.6 tp -64.63 -41.33 91.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.747 -178.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.457 ' N ' HG23 ' A' ' 125' ' ' ILE . 37.1 ttmt -63.63 -45.01 92.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.761 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -73.48 -47.54 40.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.686 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -61.89 -29.03 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.44 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 68.5 t0 -85.14 107.55 17.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.53 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 130' ' ' LEU . 3.9 mm? -64.17 -40.2 95.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.65 -179.624 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.46 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 23.5 m-20 -84.42 1.92 43.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.211 -179.572 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.02 31.35 0.46 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.7 p30 -84.93 -1.84 57.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.655 0.264 . . . . 0.0 110.519 -179.663 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.01 17.84 58.79 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -149.55 155.15 39.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.068 0.461 . . . . 0.0 110.421 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.0 t -125.88 125.78 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.455 179.224 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -91.15 158.08 16.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.361 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -51.2 -42.26 60.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.42 -46.75 85.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.438 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.46 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 96.5 mt-10 -65.86 -36.7 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.042 179.406 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -60.93 -47.83 84.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.34 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.925 HG22 HD21 ' A' ' 85' ' ' LEU . 64.0 t -59.68 -45.05 94.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.069 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -64.09 -31.25 72.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.632 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.418 ' O ' ' SD ' ' A' ' 144' ' ' MET . 8.1 tpt -74.72 -28.57 60.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.296 179.67 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 9.3 ttm -92.04 -26.75 18.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.147 -179.296 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 59.0 mtt -100.95 39.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.7 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 51.6 m -143.46 -71.52 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.426 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.6 t 38.87 83.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.468 -179.651 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -62.1 -39.8 93.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -67.7 -37.06 81.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.415 ' O ' ' OG ' ' B' ' 26' ' ' SER . 13.5 mmp_? -61.26 -43.49 98.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.196 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.686 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.3 m95 -64.19 -49.75 70.82 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.218 0.532 . . . . 0.0 110.247 179.823 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -65.15 -36.32 83.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.909 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 38.8 t -62.05 -42.62 99.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.185 179.413 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.575 ' O ' HG23 ' B' ' 30' ' ' VAL . 1.1 m -60.04 -43.76 95.11 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.316 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.01 -43.84 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.736 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.2 m -67.68 -43.78 79.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.478 -179.234 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 33' ' ' ARG . 77.8 mt -63.23 -42.18 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 26' ' ' SER . 25.1 t -58.85 -45.11 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.1 -179.762 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.514 ' HZ3' HG11 ' A' ' 76' ' ' VAL . 6.0 tptm -67.65 -40.75 84.54 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.936 -179.186 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -75.7 -23.85 56.2 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.118 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.554 ' NH1' HD11 ' A' ' 112' ' ' LEU . 75.7 ttt180 -60.63 -52.11 66.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.451 -179.506 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 19.57 51.47 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.068 0.855 . . . . 0.0 111.491 -179.575 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' B' ' 33' ' ' ARG . 47.7 ttm-85 -69.4 8.47 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.072 -178.378 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.494 ' H ' ' C ' ' B' ' 34' ' ' ALA . 78.3 mtm180 -126.38 5.12 6.95 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.607 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' B' ' 41' ' ' SER . 0.2 OUTLIER 57.8 66.46 1.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.194 0.521 . . . . 0.0 110.006 179.36 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 81.1 mtm-85 -58.16 -37.88 75.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.219 -179.546 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 24.2 ttt -60.95 -63.14 1.4 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.37 -43.45 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.703 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 38.3 t -59.7 -44.44 93.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.265 -179.426 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.513 ' O ' ' C ' ' B' ' 43' ' ' LEU . 15.5 t-20 -81.51 -14.71 56.62 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.251 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.513 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.798 0 O-C-N 124.159 0.912 . . . . 0.0 111.888 179.253 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.55 ' C ' ' H ' ' A' ' 4' ' ' LEU . 59.2 p30 -153.43 166.49 32.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.992 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 mm 65.54 -37.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 O-C-N 123.553 0.533 . . . . 0.0 110.794 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.55 ' H ' ' C ' ' A' ' 2' ' ' ASP . 95.9 mt -105.48 -4.32 21.45 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.608 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 m -61.35 143.66 55.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.915 0.388 . . . . 0.0 110.419 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.37 -25.65 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.395 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -57.9 -56.06 26.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.102 0.477 . . . . 0.0 109.726 179.637 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -46.91 -42.91 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.267 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.72 -42.6 95.45 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.479 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.0 t -60.36 -50.25 81.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.249 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.71 -49.06 78.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.112 0.482 . . . . 0.0 110.2 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -61.38 -44.33 97.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.943 179.131 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -61.04 -35.93 78.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.395 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -63.29 -50.26 70.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.172 179.757 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.33 -36.72 64.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.15 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.529 ' CE1' ' OD2' ' A' ' 20' ' ' ASP . 33.2 t80 -63.42 -46.41 86.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.721 179.001 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.45 -39.31 92.77 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.302 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.18 -51.68 65.39 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.721 -179.612 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -58.44 -34.07 70.42 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.072 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.529 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 46.4 m-20 -97.91 74.04 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -62.53 -19.86 64.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.551 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 23' ' ' GLY . 44.9 p30 -108.02 31.98 5.11 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.682 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.73 57.31 0.01 OUTLIER Glycine 0 N--CA 1.473 1.115 0 O-C-N 124.156 0.91 . . . . 0.0 111.643 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' ASP . 26.1 p-10 -86.37 -24.89 25.63 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.925 0.393 . . . . 0.0 110.418 -179.791 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.67 -24.27 10.42 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 3.7 m -134.27 168.33 19.07 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.392 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.1 mt -112.9 117.62 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.264 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -82.17 -172.88 4.21 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.572 -179.666 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 28' ' ' THR . 61.1 t -82.49 -44.95 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.518 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.56 -44.2 96.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.544 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 46.0 mt-10 -60.25 -47.38 86.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.313 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.776 HD22 HD11 ' A' ' 52' ' ' ILE . 4.2 tp -60.99 -40.02 91.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.19 95.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.236 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.2 m -56.74 -47.1 80.81 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.287 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.53 -44.09 92.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.195 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.74 ' CD1' HD11 ' A' ' 48' ' ' LEU . 86.6 mt -61.91 -42.72 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.42 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -53.7 -41.46 66.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.246 -179.579 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.7 t -90.58 21.41 4.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.63 179.279 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.45 -2.6 8.45 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 41' ' ' GLN . 8.9 p30 -178.19 -95.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.417 -179.712 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.538 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 3.4 pt20 -131.55 -110.4 0.25 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.974 -179.836 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.7 OUTLIER -162.36 93.4 1.27 Allowed Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.447 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -77.73 -171.07 1.08 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.553 2.169 . . . . 0.0 111.88 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.494 HG23 ' H ' ' A' ' 47' ' ' GLU . 4.4 t -87.69 147.08 25.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.545 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -66.23 -18.55 65.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -64.79 -45.34 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.814 -179.587 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.494 ' H ' HG23 ' A' ' 44' ' ' THR . 77.6 mm-40 -67.5 -21.24 65.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.622 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.74 HD11 ' CD1' ' A' ' 36' ' ' ILE . 4.0 mm? -77.67 -52.55 8.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.072 179.858 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -70.77 -27.08 63.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.327 -179.635 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -69.45 -55.28 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.706 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.5 -39.7 85.19 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.573 -179.606 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.776 HD11 HD22 ' A' ' 32' ' ' LEU . 6.1 mm -68.71 -20.95 25.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.601 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.7 t -85.88 -32.93 21.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -65.22 -43.28 92.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.714 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.4 t -80.77 -47.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.433 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 60.8 t0 -62.28 99.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.635 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.575 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -49.17 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.925 -179.597 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 59' ' ' GLY . 53.2 p-10 -67.53 17.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.559 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.575 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 21.83 61.53 0.02 OUTLIER Glycine 0 C--N 1.346 1.092 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.355 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 62' ' ' THR . 51.3 p30 -97.11 24.65 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.298 -179.048 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.77 14.68 7.78 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.74 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 40.7 p -140.89 152.43 45.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 110.429 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 52' ' ' ILE . 70.0 mt -115.62 133.08 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -99.02 157.75 16.13 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.327 179.438 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -44.11 -47.49 8.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.639 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.0 -37.08 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.051 0.453 . . . . 0.0 110.304 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -73.53 -43.2 60.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.759 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -61.7 -43.52 98.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.039 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 69' ' ' LEU . 2.6 tt -59.63 -48.66 80.79 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.806 -179.734 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.9 m -54.2 -41.57 68.77 Favored 'General case' 0 C--O 1.252 1.233 0 CA-C-O 122.077 0.942 . . . . 0.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.81 -47.59 85.67 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.546 -179.473 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.3 mmt -81.47 -17.34 49.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.296 179.533 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -56.15 -29.31 60.58 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.833 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 75' ' ' LYS . 99.0 mttt -64.01 -10.18 20.2 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.437 178.431 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.625 ' O ' ' N ' ' A' ' 77' ' ' LYS . 18.6 pttp 11.75 98.71 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 O-C-N 124.176 0.922 . . . . 0.0 110.972 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.707 HG13 ' H ' ' A' ' 77' ' ' LYS . 0.2 OUTLIER 0.1 -67.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 123.821 0.701 . . . . 0.0 111.095 -179.097 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.707 ' H ' HG13 ' A' ' 76' ' ' VAL . 83.0 tttt 103.02 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.213 1.571 . . . . 0.0 110.555 179.01 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 79' ' ' THR . 32.9 p-10 -174.07 -43.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.617 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.504 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 69.3 p 52.38 -129.25 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.474 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -75.04 151.31 38.73 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.469 0.652 . . . . 0.0 110.85 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.63 -53.27 23.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.36 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -54.52 -17.76 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -80.36 -57.54 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 179.372 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.517 ' HA ' ' HZ1' ' B' ' 31' ' ' LYS . 5.2 tm-20 -68.77 -36.98 79.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.105 0.478 . . . . 0.0 110.509 -179.828 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.15 -38.23 85.15 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.941 -179.383 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -83.89 -38.99 20.4 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 91' ' ' VAL . 54.5 tp10 -57.15 -44.71 83.7 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -179.709 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.77 -58.53 5.98 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.605 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.515 ' CE1' ' OD2' ' A' ' 93' ' ' ASP . 54.3 t80 -49.64 -41.99 43.92 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.492 179.714 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -62.06 -36.92 83.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 -179.491 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 87' ' ' GLU . 56.2 t -74.55 -56.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.782 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -59.89 -47.38 85.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.126 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.515 ' OD2' ' CE1' ' A' ' 89' ' ' PHE . 5.0 t0 -79.66 55.59 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.651 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -41.28 -61.79 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.348 -178.62 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -68.85 -1.77 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.595 -178.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 93' ' ' ASP . 88.5 mt-30 43.49 44.29 4.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.433 179.444 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -82.37 -4.75 57.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.611 -179.617 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.08 -7.35 64.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -139.34 144.92 38.45 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.807 0.303 . . . . 0.0 110.286 -179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mt -95.4 119.06 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.122 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.8 t -91.93 150.34 21.08 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.676 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.39 -43.45 54.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.445 -179.749 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.6 t -58.78 -40.66 84.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.535 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -65.46 -51.72 58.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.222 0.534 . . . . 0.0 110.001 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.15 -25.31 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.318 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -80.87 -46.2 15.63 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -52.81 -51.09 62.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' A' ' 109' ' ' MET . 37.2 t -62.56 -62.43 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.925 179.589 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.489 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -30.01 -75.72 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.929 0.395 . . . . 0.0 110.483 -179.583 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.555 HG23 ' N ' ' A' ' 111' ' ' ASN . 8.7 tp -47.51 -44.12 9.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.611 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.555 ' N ' HG23 ' A' ' 110' ' ' ILE . 4.6 t-20 -49.66 -11.21 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.862 0.363 . . . . 0.0 110.526 -179.65 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' A' ' 110' ' ' ILE . 67.7 mt -98.68 7.62 45.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.662 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 79.62 21.87 65.6 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 110' ' ' ILE . 29.4 tp10 -103.58 127.31 51.02 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.942 0.401 . . . . 0.0 110.202 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -92.56 96.93 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.985 0.421 . . . . 0.0 111.129 -179.579 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.4 mt -121.07 129.44 53.34 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.765 179.211 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 76.6 p -77.01 167.67 21.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.513 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.12 -24.72 67.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.364 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -67.32 -49.82 62.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.291 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.435 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 11.9 tm-20 -62.86 -41.87 99.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.151 0.5 . . . . 0.0 110.54 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.8 t -63.32 -43.22 98.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.293 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -64.17 -32.76 74.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.303 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -64.31 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.869 -179.51 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 124' ' ' MET . 3.7 ppp? -56.53 -32.08 64.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.31 -44.25 94.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.368 -179.699 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -70.76 -24.01 62.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.614 -179.465 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -78.57 -52.44 8.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.522 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -57.44 -43.66 84.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.456 -179.618 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.73 107.95 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.268 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.42 -26.43 22.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.624 -179.828 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -88.72 -6.71 57.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.487 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.21 88.81 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 37.3 p30 -142.1 -21.82 0.7 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.638 0.256 . . . . 0.0 110.691 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 98.6 2.42 57.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -149.3 133.21 17.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.946 0.403 . . . . 0.0 110.565 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.2 t -83.32 124.31 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.46 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.95 159.91 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.587 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -50.84 -41.44 57.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.211 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.68 -51.32 70.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.018 0.437 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.21 -34.6 76.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.024 178.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -61.75 -49.22 77.28 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.299 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.28 -46.42 88.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.135 -179.415 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.73 -29.93 69.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.486 179.658 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.3 tpt -70.72 -29.34 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.441 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.607 ' O ' ' O ' ' A' ' 146' ' ' MET . 3.7 ttm -91.97 -15.84 27.4 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.228 -179.382 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.607 ' O ' ' O ' ' A' ' 145' ' ' MET . 1.9 mtt -48.69 -154.63 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.657 0.742 . . . . 0.0 110.855 -179.488 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' ' 149' ' ' ARG . 2.0 m -75.86 33.66 0.12 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.583 ' O ' HG12 ' A' ' 148' ' ' VAL . 91.4 t -64.41 0.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.109 0.48 . . . . 0.0 110.619 179.521 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.437 ' H ' ' C ' ' A' ' 147' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.777 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -61.48 -34.05 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.606 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -63.92 -43.51 95.72 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.382 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.435 ' NH1' ' OE2' ' A' ' 120' ' ' GLU . 11.9 mmt85 -63.18 -44.81 94.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.797 0.332 . . . . 0.0 110.501 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.522 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 2.1 m95 -66.27 -46.42 77.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.211 179.43 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -66.81 -39.94 87.89 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.124 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.8 t -61.78 -42.54 99.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.247 179.446 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.527 ' O ' HG23 ' B' ' 30' ' ' VAL . 4.3 m -60.05 -44.04 94.97 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.29 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.81 -43.42 79.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.894 0.378 . . . . 0.0 110.597 179.684 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -65.88 -45.06 83.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.426 -179.25 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.6 -41.66 92.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.98 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 26' ' ' SER . 25.1 t -59.54 -44.25 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.1 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.517 ' HZ1' ' HA ' ' A' ' 84' ' ' GLU . 35.7 mmtt -64.8 -44.66 89.2 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.687 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -65.4 -34.11 77.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.93 179.348 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' B' ' 34' ' ' ALA . 78.7 ttt180 -57.83 -58.67 7.37 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.578 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.504 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 29.64 44.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.535 0.522 . . . . 0.0 111.036 -179.444 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.431 ' H ' ' HG2' ' B' ' 33' ' ' ARG . 38.5 ttm180 -60.02 -1.22 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.084 -179.301 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' B' ' 34' ' ' ALA . 49.1 mmm-85 -107.49 -4.71 18.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 -179.521 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 37' ' ' PHE . . . . . 0.475 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.4 OUTLIER 62.5 78.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.967 179.314 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -58.39 -37.73 75.88 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.421 -179.127 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 59.4 mmm -67.25 -60.06 2.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.128 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.6 -42.95 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.752 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 43.6 t -57.14 -44.92 83.84 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.298 -179.353 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.475 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 9.3 t-20 -78.89 -40.89 31.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.376 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.475 ' OXT' ' O ' ' B' ' 42' ' ' ASN . 5.8 tt . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.145 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 120.935 0.398 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 10' ' ' VAL . 95.4 mt-10 -51.2 -24.67 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.505 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.48 -27.98 64.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.063 0.459 . . . . 0.0 110.754 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -77.32 -55.25 5.56 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.568 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.5 mt -64.51 -32.59 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.188 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 6' ' ' GLU . 20.0 t -62.43 -50.56 79.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -53.94 -48.0 70.7 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.555 -0.458 . . . . 0.0 109.83 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.43 ' CZ ' ' O ' ' B' ' 32' ' ' ASN . 44.4 m-85 -66.84 -41.32 87.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.563 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -59.79 -43.78 94.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.222 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -60.23 -51.24 70.43 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.337 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.91 88.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.052 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 29.8 t80 -54.4 -49.51 69.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.076 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.85 -34.06 56.84 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.63 -43.35 93.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.166 0.508 . . . . 0.0 110.652 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.597 ' CE1' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -64.49 -37.85 88.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.499 179.723 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -96.05 81.47 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.439 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -54.68 -38.96 67.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.054 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.564 ' O ' ' C ' ' A' ' 23' ' ' GLY . 5.1 p30 -93.61 38.07 1.06 Allowed 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 4.41 68.86 0.01 OUTLIER Glycine 0 N--CA 1.466 0.668 0 O-C-N 123.729 0.643 . . . . 0.0 112.015 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 22' ' ' ASP . 75.1 m-20 -91.15 -23.31 20.3 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.59 -27.7 8.66 Favored Glycine 0 N--CA 1.465 0.613 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 m -135.46 130.85 35.38 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.05 0.452 . . . . 0.0 110.677 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.0 mt -76.26 136.25 25.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.571 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 29' ' ' VAL . 57.4 m -106.07 154.87 20.03 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.618 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.426 ' N ' HG22 ' A' ' 28' ' ' THR . 96.1 t -51.43 -44.51 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.085 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -58.84 -58.12 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.469 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 83.5 mt-10 -55.64 -41.66 73.9 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.597 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.9 tp -62.2 -40.52 96.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.061 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.5 96.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.3 m -58.76 -47.75 83.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.367 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.49 -46.02 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.598 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.509 ' CD1' HD11 ' A' ' 48' ' ' LEU . 92.1 mt -63.3 -43.98 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -59.42 -34.82 72.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.22 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 m -89.9 21.68 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.257 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -109.7 12.35 24.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 2.4 m-20 81.45 20.68 0.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 123.303 0.377 . . . . 0.0 110.632 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -157.31 153.61 27.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.28 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.548 HD22 ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -141.05 77.86 20.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 0.0 110.692 -179.704 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.86 156.88 59.56 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.931 2.421 . . . . 0.0 111.95 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 47' ' ' GLU . 9.3 t -63.84 141.21 58.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.732 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.672 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 1.6 pm0 -63.31 -22.93 67.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.419 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -56.39 -64.17 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.772 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' H ' HG23 ' A' ' 44' ' ' THR . 12.1 pt-20 -62.7 -31.79 72.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.367 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.509 HD11 ' CD1' ' A' ' 36' ' ' ILE . 6.2 tp -63.21 -47.54 82.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.597 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.05 -42.4 72.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.88 -42.34 85.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -62.15 -43.62 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.572 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.623 ' CD1' HD11 ' A' ' 63' ' ' ILE . 5.9 mm -65.15 -44.55 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.796 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.5 t -70.83 -23.14 62.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.649 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -63.7 -43.56 96.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.682 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.55 -49.75 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.608 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.5 104.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.775 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.561 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -48.68 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.416 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.529 ' O ' ' C ' ' A' ' 59' ' ' GLY . 41.9 p30 -64.29 10.57 0.06 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.874 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.561 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 19.96 59.98 0.01 OUTLIER Glycine 0 C--N 1.344 1.008 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.4 p-10 -76.03 -14.35 60.21 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.517 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.09 1.66 45.08 Favored Glycine 0 N--CA 1.463 0.437 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -139.93 146.31 39.04 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.945 0.403 . . . . 0.0 110.369 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.623 HD11 ' CD1' ' A' ' 52' ' ' ILE . 77.1 mt -95.36 121.62 46.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.532 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -84.65 159.54 20.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.088 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -47.85 -50.01 27.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -57.29 -38.29 73.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.849 0.357 . . . . 0.0 110.249 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -71.42 -45.74 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.584 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.36 -45.32 93.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.035 0.445 . . . . 0.0 110.279 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.45 HD23 ' C ' ' A' ' 69' ' ' LEU . 1.2 tt -57.72 -63.07 1.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.377 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.0 t -57.96 -41.2 82.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.74 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.0 tp -46.68 -57.01 5.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.819 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.9 mmm -79.44 -53.34 6.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.58 -39.46 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -71.68 -60.67 2.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.78 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 76' ' ' VAL . 63.1 mttp -72.73 107.81 5.38 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 76' ' ' VAL . 56.0 t -157.28 73.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.907 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -122.17 -99.17 0.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.469 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -176.38 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.413 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 0.4 OUTLIER 73.28 -8.56 1.3 Allowed 'General case' 0 CA--C 1.53 0.185 0 O-C-N 123.45 0.469 . . . . 0.0 110.409 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 79' ' ' THR . 73.2 m-20 -152.24 104.7 2.97 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 110.107 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.06 -55.28 11.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.037 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -52.33 -20.98 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.914 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -81.21 -51.89 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.722 ' N ' HH22 ' B' ' 38' ' ' ARG . 3.0 tm-20 -71.92 -39.22 69.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.816 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.9 -37.01 83.56 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.387 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -84.65 -43.89 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.06 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 91' ' ' VAL . 12.9 tm-20 -57.3 -45.74 83.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.082 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.97 -57.42 11.78 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.047 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -53.28 -40.71 64.91 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.47 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -58.07 -38.4 76.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 87' ' ' GLU . 88.2 t -73.78 -46.12 48.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.582 ' CE1' HG11 ' A' ' 108' ' ' VAL . 52.1 m-85 -63.46 -49.68 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.449 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' A' ' 96' ' ' GLN . 34.2 t0 -89.59 57.77 4.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.262 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -39.43 -56.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.228 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -66.14 -8.97 27.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 93' ' ' ASP . 27.6 mt-30 49.06 61.63 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.283 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.451 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 37.1 p-10 -103.45 -5.9 22.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.519 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 99' ' ' TYR . . . 96.8 -0.67 61.01 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 6.0 m-85 -141.05 146.01 36.6 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.722 0.296 . . . . 0.0 110.294 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 mt -95.23 113.91 30.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 p -85.4 145.6 27.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.278 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -48.51 -45.54 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.1 p -57.94 -43.68 86.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.9 0.381 . . . . 0.0 111.045 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.11 -43.88 90.6 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.117 0.484 . . . . 0.0 110.167 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.45 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 50.8 tp -73.23 -27.25 61.49 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 102' ' ' ALA . 53.8 ttp180 -63.02 -46.09 89.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.503 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.426 ' C ' ' N ' ' A' ' 109' ' ' MET . 27.6 t-80 -67.89 -56.99 7.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.003 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.582 HG11 ' CE1' ' A' ' 92' ' ' PHE . 77.6 t -48.76 -16.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.426 ' N ' ' C ' ' A' ' 107' ' ' HIS . 5.3 tpt -90.25 -78.48 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.869 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.494 ' C ' ' H ' ' A' ' 112' ' ' LEU . 17.4 tt -50.91 -36.94 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.257 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.449 ' N ' HG23 ' A' ' 110' ' ' ILE . 27.8 t-20 -52.04 -9.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.493 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.494 ' H ' ' C ' ' A' ' 110' ' ' ILE . 92.2 mt -104.81 7.46 34.54 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.75 59.91 1.94 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -149.09 120.68 8.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -97.69 99.64 11.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.376 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.629 ' N ' HD12 ' A' ' 116' ' ' LEU . 6.3 mp -89.32 171.18 9.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.241 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.508 ' H ' ' HB2' ' A' ' 120' ' ' GLU . 59.4 p -120.3 164.29 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.443 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 34.0 p-10 -48.8 -43.84 38.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.64 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.0 mt-10 -64.87 -45.07 87.55 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.804 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.508 ' HB2' ' H ' ' A' ' 117' ' ' THR . 97.3 mt-10 -65.73 -40.2 91.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.524 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.22 -42.33 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.362 0.601 . . . . 0.0 110.268 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 95.8 mt-10 -62.39 -60.25 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.401 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.29 -26.36 68.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.527 0.679 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.467 ' SD ' ' CD ' ' B' ' 22' ' ' ARG . 4.7 tpt -59.26 -52.03 67.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.778 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 126' ' ' LYS . 18.7 tt -93.42 -37.75 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 65.1 tttm -60.19 -28.72 68.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.961 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -68.95 -50.4 49.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.664 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.43 ' HB2' ' NE1' ' B' ' 23' ' ' TRP . . . -68.28 -40.02 81.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.173 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 64.5 t0 -63.84 104.52 0.7 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.492 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 52.3 mt -75.09 -28.04 60.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.741 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.441 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 13.9 m-20 -88.73 -1.67 58.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.381 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.23 27.66 24.46 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.532 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.7 p-10 -88.63 19.29 4.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.772 0.32 . . . . 0.0 110.397 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.0 16.57 57.6 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -147.72 152.84 38.46 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.121 0.486 . . . . 0.0 110.45 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.3 t -117.67 124.7 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.545 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.599 ' H ' HD22 ' A' ' 137' ' ' ASN . 0.4 OUTLIER -86.93 156.66 19.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.457 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.436 ' CE2' HG21 ' A' ' 142' ' ' VAL . 53.1 t80 -53.12 -40.22 64.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.265 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -58.42 -48.83 79.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 0.0 110.447 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 97.7 mt-10 -61.94 -37.26 84.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.461 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -61.81 -48.97 78.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.651 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.436 HG21 ' CE2' ' A' ' 138' ' ' TYR . 53.3 t -57.89 -46.4 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.314 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -63.65 -36.59 84.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.857 0.36 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.3 ttt -66.93 -33.64 76.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.599 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -20.99 37.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.48 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.8 mmt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.328 -179.799 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -68.86 -25.94 64.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.486 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -68.12 -54.02 21.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.579 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.467 ' CD ' ' SD ' ' A' ' 124' ' ' MET . 11.6 ptp180 -60.17 -39.45 86.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.81 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.45 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -56.59 -49.42 74.94 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 120.511 -0.476 . . . . 0.0 109.923 179.101 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -65.88 -36.63 83.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.789 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m -60.17 -42.41 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.931 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.535 ' O ' HG23 ' B' ' 30' ' ' VAL . 32.3 t -61.42 -43.56 98.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.02 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.43 -43.24 81.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.405 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.1 t -64.35 -45.05 89.48 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.481 ' CG2' HD22 ' A' ' 112' ' ' LEU . 71.0 mt -62.38 -41.33 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.909 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 26' ' ' SER . 19.3 t -59.42 -40.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -59.98 -43.35 95.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.046 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.43 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 84.5 m-20 -65.28 -41.64 93.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.173 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' B' ' 34' ' ' ALA . 70.8 ttt180 -68.98 -45.16 71.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.477 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 35.31 74.37 0.07 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -67.69 -12.92 61.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.908 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.495 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 42.6 ttm180 -105.64 -8.07 18.13 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.158 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.495 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.8 OUTLIER 67.53 69.91 0.36 Allowed 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.055 0.455 . . . . 0.0 110.373 179.349 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.722 HH22 ' N ' ' A' ' 84' ' ' GLU . 62.5 mtp85 -52.91 -41.17 64.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.907 0.384 . . . . 0.0 110.515 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 8.3 tpt -65.99 -62.31 1.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.183 0.516 . . . . 0.0 111.38 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.92 -43.62 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.622 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 36.0 t -57.66 -42.24 83.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.21 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -64.19 -40.19 95.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.359 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.415 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 7' ' ' GLU . 3.5 m . . . . . 0 C--O 1.224 -0.269 0 CA-C-O 120.644 0.259 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 10' ' ' VAL . 95.9 mt-10 -52.28 -8.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.656 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.547 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 16.2 mp0 -67.84 -45.11 75.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.599 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.536 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 15.6 pt20 -53.37 -49.21 67.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.536 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 37.7 mm -62.42 -41.95 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.806 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 6' ' ' GLU . 24.4 t -58.35 -48.33 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.071 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.571 ' CG ' HH12 ' B' ' 33' ' ' ARG . 89.9 m-20 -52.31 -52.66 51.79 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.19 0.519 . . . . 0.0 110.039 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -62.54 -39.54 93.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.329 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -58.92 -42.73 90.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.144 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -57.52 -51.73 68.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.371 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.78 -43.48 69.3 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.389 0.614 . . . . 0.0 110.406 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -60.33 -45.35 93.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.231 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.18 -39.85 58.81 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.55 -43.11 99.63 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.525 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 22.9 m-85 -67.03 -40.83 87.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.732 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.472 ' OD2' ' O ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -89.78 74.29 7.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.898 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 15.8 pttp -58.65 -40.56 83.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.433 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.544 ' O ' ' C ' ' A' ' 23' ' ' GLY . 2.4 p30 -92.65 33.32 1.14 Allowed 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 17.43 66.67 0.01 OUTLIER Glycine 0 N--CA 1.465 0.621 0 O-C-N 123.344 0.402 . . . . 0.0 112.228 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 53.9 m-20 -92.32 -29.87 16.13 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.65 11.15 20.04 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.472 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 23.5 p -167.09 171.95 10.52 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.906 0.384 . . . . 0.0 110.53 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.1 mt -117.24 123.01 71.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.968 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.622 ' HA ' HG22 ' A' ' 62' ' ' THR . 0.2 OUTLIER -98.39 -167.64 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.018 0.437 . . . . 0.0 110.797 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.487 ' H ' HG22 ' A' ' 28' ' ' THR . 47.6 t -84.07 -45.63 18.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.583 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.54 -41.19 96.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.224 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 80.9 mt-10 -65.57 -49.34 69.21 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.064 0.459 . . . . 0.0 110.216 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 52' ' ' ILE . 5.9 tp -60.97 -38.83 87.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.969 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.14 94.25 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.122 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -56.87 -48.87 77.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.312 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.434 ' O ' ' OG ' ' A' ' 38' ' ' SER . 91.4 t -61.78 -45.57 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.383 . . . . 0.0 110.453 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.3 -44.28 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.748 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 82.0 mtp180 -62.42 -37.77 87.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.767 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.66 ' C ' ' H ' ' A' ' 40' ' ' ASP . 78.6 p -66.33 -30.58 71.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.359 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.55 14.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.802 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.66 ' H ' ' C ' ' A' ' 38' ' ' SER . 1.4 m-20 70.59 44.11 0.7 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 13.7 tp60 -146.85 158.17 43.85 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.717 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -136.56 71.41 58.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.902 0.382 . . . . 0.0 110.05 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -78.51 154.21 27.43 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.766 2.311 . . . . 0.0 112.516 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.561 HG22 ' H ' ' A' ' 46' ' ' GLU . 89.5 m -68.28 135.58 52.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.518 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -54.99 -39.6 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.496 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.561 ' H ' HG22 ' A' ' 44' ' ' THR . 71.8 mm-40 -48.95 -41.4 33.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.828 0.347 . . . . 0.0 110.335 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.38 -32.61 74.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 48' ' ' LEU . 10.3 mp -72.61 -44.44 61.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.787 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.81 -36.59 83.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.412 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.48 -49.53 66.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.636 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.2 ttp -65.88 -43.04 89.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.648 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.77 HD11 HD22 ' A' ' 32' ' ' LEU . 12.4 mm -66.22 -43.23 91.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.38 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -68.01 -35.4 78.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.879 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.91 -40.17 75.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.936 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 55' ' ' VAL . 62.0 t -93.7 -5.98 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.216 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 44.8 t0 -77.79 98.11 5.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.57 2.07 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 26.5 p30 -129.02 12.8 6.2 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.785 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 41.37 47.57 4.59 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 62' ' ' THR . 41.2 p-10 -108.68 12.56 25.73 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 43.75 17.59 0.06 OUTLIER Glycine 0 N--CA 1.461 0.353 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.622 HG22 ' HA ' ' A' ' 28' ' ' THR . 10.8 p -137.53 138.65 39.85 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 111.094 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.68 HD11 HD13 ' A' ' 52' ' ' ILE . 83.0 mt -97.21 124.12 49.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.625 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -86.57 168.1 13.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.339 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -53.32 -47.29 69.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.486 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -59.38 -39.35 83.04 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 120.946 0.403 . . . . 0.0 110.397 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -73.28 -47.25 44.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.567 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -57.51 -44.65 85.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.001 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.8 tt -58.17 -57.59 12.17 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.998 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.1 m -60.17 -41.7 93.4 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.2 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.8 tt -49.14 -57.99 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.635 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mmt -69.84 -42.84 73.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.179 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.99 90.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.675 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -74.71 -61.19 1.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -77.81 124.25 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.028 0.442 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 77' ' ' LYS . 11.1 t -141.65 -123.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.321 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.518 ' N ' HG12 ' A' ' 76' ' ' VAL . 31.8 ttpt -33.61 146.83 0.02 OUTLIER 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.191 0.307 . . . . 0.0 110.577 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.499 ' O ' ' OG1' ' A' ' 79' ' ' THR . 96.2 m-20 -130.07 22.13 5.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.455 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.508 ' H ' ' HG2' ' A' ' 77' ' ' LYS . 16.9 p 60.05 66.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.332 0.395 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -151.62 107.49 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.56 -55.28 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -53.1 -23.2 7.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.45 ' OE2' ' ND2' ' B' ' 42' ' ' ASN . 45.3 tt0 -81.29 -53.5 6.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.071 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.491 ' CD ' ' NZ ' ' B' ' 31' ' ' LYS . 85.5 tt0 -71.48 -35.05 70.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.393 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.59 -41.22 88.85 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.447 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -84.18 -46.59 11.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.221 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 91' ' ' VAL . 84.0 tt0 -58.93 -42.29 89.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.069 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.13 -56.39 15.2 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.15 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -57.0 -41.2 78.03 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.29 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.82 -36.55 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.284 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 87' ' ' GLU . 90.5 t -74.09 -54.42 14.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.768 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 5.9 m-30 -55.71 -47.38 76.95 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 96' ' ' GLN . 37.8 t0 -85.48 62.46 7.49 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.261 0.35 . . . . 0.0 110.507 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -40.61 -59.2 1.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.83 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 19.9 p-10 -63.05 -3.98 2.02 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.564 ' N ' ' O ' ' A' ' 93' ' ' ASP . 3.4 pt20 35.72 59.02 0.87 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.665 0.603 . . . . 0.0 110.721 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -100.06 3.63 44.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.21 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.22 0.25 63.45 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.423 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 4.8 m-85 -143.24 148.5 36.52 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.804 0.335 . . . . 0.0 110.402 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.5 mt -97.56 115.31 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.115 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 p -87.07 153.89 21.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.389 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.46 -44.55 89.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.719 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.3 t -61.56 -45.36 94.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -59.98 -53.06 62.25 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.175 0.512 . . . . 0.0 110.401 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.77 -20.61 65.9 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.347 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.48 ' O ' HG22 ' A' ' 110' ' ' ILE . 61.7 ttp180 -82.14 -44.0 17.04 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.429 ' O ' ' OD1' ' A' ' 111' ' ' ASN . 4.0 m80 -54.33 -51.97 63.03 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 109' ' ' MET . 15.4 t -62.4 -63.94 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.951 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 108' ' ' VAL . 6.7 tpt -31.37 -75.59 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.737 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.516 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.668 HG23 ' N ' ' A' ' 111' ' ' ASN . 19.7 tt -47.19 -50.62 6.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.629 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.668 ' N ' HG23 ' A' ' 110' ' ' ILE . 9.1 m120 -47.15 -8.7 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.007 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' A' ' 110' ' ' ILE . 90.4 mt -91.61 11.98 22.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 91.99 -46.3 2.68 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -53.35 124.05 13.64 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.993 0.425 . . . . 0.0 110.297 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -98.83 103.04 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 110.468 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 mt -116.06 130.54 56.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.7 p -64.51 168.18 6.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.438 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 46.4 p-10 -66.7 -23.76 66.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.516 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.418 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.2 mt-10 -68.52 -48.43 64.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.706 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.9 -44.36 85.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.618 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.2 t -62.69 -47.87 90.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -62.86 -35.0 78.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.524 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -59.43 -54.14 50.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.618 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.49 ' C ' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -54.46 -39.73 67.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.691 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.44 ' N ' ' HG3' ' A' ' 124' ' ' MET . 2.4 mm -61.78 -41.42 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.387 -176.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -63.53 -33.56 75.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.146 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -75.93 -53.21 8.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.536 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -62.21 -37.54 85.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.398 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 56.9 t0 -74.97 105.55 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.08 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 130' ' ' LEU . 10.6 mp -66.34 -39.89 89.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.816 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 11.7 m-20 -86.36 1.58 50.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.376 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 49.4 34.76 19.72 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.528 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 15.1 p-10 -96.7 20.41 10.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.745 0.307 . . . . 0.0 110.327 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.519 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 59.84 19.89 51.26 Favored Glycine 0 C--N 1.332 0.313 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -145.15 145.62 31.44 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.909 0.385 . . . . 0.0 110.466 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.3 t -123.54 126.33 72.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.684 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.416 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 11.5 t-20 -88.11 158.61 18.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.628 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -51.9 -41.92 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.233 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -60.37 -49.79 76.2 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.948 0.404 . . . . 0.0 110.393 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 93.2 mt-10 -60.71 -38.63 85.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.41 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -60.88 -47.32 86.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.733 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.9 t -57.88 -47.02 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.347 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -65.16 -36.52 84.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 111.08 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.429 ' SD ' ' C ' ' A' ' 144' ' ' MET . 1.0 OUTLIER -69.28 -35.25 75.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.538 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.7 ttm -75.96 -24.22 55.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.85 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 81.8 mmm . . . . . 0 C--O 1.203 -1.354 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.903 -179.585 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.0 ptt-85 -63.26 -36.15 82.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -65.14 -44.71 87.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.556 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -60.54 -42.98 97.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.288 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.536 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 1.5 m95 -62.27 -50.32 72.16 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.194 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -65.95 -35.02 79.45 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.058 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.0 t -61.23 -44.56 97.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.046 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.451 ' O ' HG23 ' B' ' 30' ' ' VAL . 61.7 m -59.26 -45.2 91.85 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.306 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -68.4 -42.74 84.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -61.08 -42.03 97.74 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.666 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.4 ' CG2' HD22 ' A' ' 112' ' ' LEU . 72.7 mt -61.66 -42.09 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.192 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 34' ' ' ALA . 55.5 t -58.52 -42.55 84.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.787 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.491 ' NZ ' ' CD ' ' A' ' 84' ' ' GLU . 23.8 mttp -60.12 -45.59 92.48 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.158 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -70.01 -32.84 71.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.131 0.491 . . . . 0.0 110.063 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.571 HH12 ' CG ' ' A' ' 11' ' ' ASP . 34.7 ttm-85 -101.8 16.12 26.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.564 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 30' ' ' VAL . . . -36.38 91.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.999 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' B' ' 33' ' ' ARG . 58.4 ttp180 -74.09 -16.12 61.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.167 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.484 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 53.7 ttm-85 -94.49 -4.31 48.37 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.062 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.484 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.2 OUTLIER 61.28 67.73 0.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.291 0.567 . . . . 0.0 110.23 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 21.9 mtp-105 -52.94 -42.31 65.3 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.534 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.0 tpt -64.63 -62.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.424 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 97.4 mt -62.92 -43.89 99.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.697 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 93.2 p -57.13 -46.07 82.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.111 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.45 ' ND2' ' OE2' ' A' ' 83' ' ' GLU . 99.1 m-20 -65.56 -41.15 93.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 110.656 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.453 ' C ' HD23 ' B' ' 43' ' ' LEU . 1.8 tt . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.388 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.487 ' C ' ' H ' ' A' ' 7' ' ' GLU . 34.1 t . . . . . 0 C--O 1.226 -0.177 0 CA-C-O 120.667 0.27 . . . . 0.0 110.613 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.586 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 49.0 mp0 -50.42 -9.78 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.704 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 5' ' ' SER . 73.2 mm-40 -69.72 -49.85 49.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.706 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.513 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 1.7 pt20 -49.86 -45.92 50.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.015 0.436 . . . . 0.0 110.028 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.513 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 36.6 mm -65.32 -43.15 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.274 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 6' ' ' GLU . 18.3 t -57.87 -47.01 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -57.25 -53.84 53.54 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.159 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.495 ' CZ ' ' ND2' ' B' ' 32' ' ' ASN . 26.9 m-85 -59.5 -43.49 93.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.905 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.74 -39.93 93.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.457 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -58.19 -51.54 69.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.317 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.43 82.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.386 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.79 -49.54 77.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.407 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.71 -34.52 70.73 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.558 ' O ' HD23 ' A' ' 18' ' ' LEU . 5.6 tt -62.95 -52.21 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.221 0.534 . . . . 0.0 110.713 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.464 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 6.9 m-85 -55.14 -32.82 62.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.46 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -102.98 81.95 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' A' ' 21' ' ' LYS . 5.3 mtmp? -62.44 -17.06 58.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.274 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 24' ' ' ASP . 45.3 p-10 -114.02 33.05 5.46 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.639 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.78 53.54 0.01 OUTLIER Glycine 0 N--CA 1.475 1.296 0 O-C-N 124.278 0.986 . . . . 0.0 111.582 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 52.3 p-10 -76.5 -28.06 56.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.391 . . . . 0.0 110.471 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 110.53 8.19 25.1 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.1 p -162.91 166.31 24.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.822 0.344 . . . . 0.0 110.382 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 mt -112.48 114.36 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.961 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.56 ' HA ' HG22 ' A' ' 62' ' ' THR . 26.1 m -91.87 151.95 20.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.89 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 t -50.64 -44.88 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.737 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.82 -51.89 65.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.52 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -55.45 -43.36 75.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.178 0.513 . . . . 0.0 109.86 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD22 HD11 ' A' ' 52' ' ' ILE . 5.9 tp -63.61 -35.54 80.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.275 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.53 87.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.0 m -59.24 -46.11 89.37 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.233 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.4 t -60.15 -46.01 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 40' ' ' ASP . 82.8 mt -60.45 -41.7 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.82 0.343 . . . . 0.0 110.218 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.529 ' O ' ' O ' ' A' ' 40' ' ' ASP . 71.9 ttp85 -57.94 -35.97 71.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.232 0.539 . . . . 0.0 109.808 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 p -66.44 -38.51 87.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.28 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 pp -103.9 6.75 36.62 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.06 0.457 . . . . 0.0 111.106 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ILE . 14.9 t70 -163.56 174.56 11.64 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 121.18 0.514 . . . . 0.0 110.732 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.92 -94.35 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.602 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.449 ' ND2' ' N ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -178.43 83.4 0.22 Allowed Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 42' ' ' ASN . 53.2 Cg_exo -54.41 -153.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.741 2.294 . . . . 0.0 111.802 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.5 t -107.98 145.02 34.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.291 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -58.38 -19.08 32.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.726 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -65.39 -47.34 76.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.465 ' H ' HG23 ' A' ' 44' ' ' THR . 1.6 mp0 -67.01 -28.5 68.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.047 0.451 . . . . 0.0 110.624 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.3 mt -78.76 -53.62 6.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -66.19 -28.83 69.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.228 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -68.29 -53.58 23.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.5 mtp -57.25 -46.49 82.98 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.779 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.529 HG13 HD11 ' A' ' 63' ' ' ILE . 1.5 mp -69.01 -30.64 47.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 t -72.11 -44.08 63.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 123.426 0.454 . . . . 0.0 110.996 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -58.56 -38.33 77.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 t -112.51 50.96 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -105.64 108.34 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . . . -88.29 -16.92 31.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.242 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.449 ' OD2' ' OE2' ' A' ' 67' ' ' GLU . 4.2 m-20 -120.61 16.4 11.99 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.628 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.74 34.95 0.05 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.467 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 42.7 p-10 -101.77 11.06 39.37 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-O 120.53 0.205 . . . . 0.0 110.706 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.98 20.01 47.26 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 28' ' ' THR . 66.1 p -137.17 158.11 45.17 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.548 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.529 HD11 HG13 ' A' ' 52' ' ' ILE . 71.4 mt -105.8 129.73 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.216 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' GLU . 42.8 tt0 -95.5 156.09 16.47 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.182 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -42.49 -49.89 5.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 110.685 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -62.02 -36.2 80.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.852 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' OE2' ' HB3' ' A' ' 57' ' ' ALA . 95.4 mt-10 -72.54 -44.77 61.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.398 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.27 -42.7 99.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.797 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -59.96 -58.49 8.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.545 -179.14 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 36.3 t -63.35 -39.98 96.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.15 0.5 . . . . 0.0 110.47 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tt -56.46 -43.62 79.74 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.747 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -61.32 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.303 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -51.55 -47.89 63.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.181 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 70' ' ' SER . 51.2 tttm -65.55 9.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.725 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 73' ' ' ALA . 52.4 mtmt -147.84 52.66 1.04 Allowed 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.992 -0.443 . . . . 0.0 110.718 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 78' ' ' ASP . 39.1 t -138.58 -70.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.482 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 76' ' ' VAL . 16.2 pttt 31.0 -90.93 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 O-C-N 124.002 0.814 . . . . 0.0 110.418 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -127.84 -50.02 1.35 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.881 179.656 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.7 m 68.93 -62.17 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.37 0.419 . . . . 0.0 110.548 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -173.03 141.78 1.0 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.53 -54.29 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.775 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -56.94 -20.61 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.11 0.481 . . . . 0.0 110.485 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -81.51 -53.44 6.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.148 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -71.43 -36.19 71.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.109 0.481 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.88 -37.29 78.94 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.128 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -82.85 -40.73 19.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.087 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 91' ' ' VAL . 49.6 tp10 -62.3 -40.81 97.52 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.216 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -66.16 -58.09 6.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.03 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -54.3 -41.49 69.0 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.253 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -58.46 -35.71 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.491 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 87' ' ' GLU . 64.4 t -74.88 -51.66 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.937 0.399 . . . . 0.0 111.011 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 5.9 m-85 -59.21 -46.92 87.17 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.214 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 96' ' ' GLN . 35.7 t0 -84.83 63.22 7.91 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.172 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -42.38 -58.56 2.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.843 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -66.83 -2.57 5.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.968 0.413 . . . . 0.0 110.937 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 93' ' ' ASP . 88.7 mt-30 42.17 42.24 2.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.65 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 41.0 p-10 -80.1 -2.24 43.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.736 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.5 -3.36 65.8 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.414 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 2.8 m-85 -139.74 146.22 39.27 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.5 mt -95.29 116.86 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.8 p -87.11 153.34 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.248 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.58 -44.99 81.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 68.7 m -59.47 -42.72 92.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.715 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.19 -50.85 64.34 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.095 0.474 . . . . 0.0 110.35 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.483 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 48.6 tp -67.78 -25.89 65.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.351 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.512 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.5 ttm180 -78.41 -45.39 22.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.248 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 103' ' ' SER . 42.3 m-70 -55.33 -49.25 72.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.811 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.571 ' O ' ' N ' ' A' ' 112' ' ' LEU . 48.7 t -61.76 -63.9 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.968 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -33.34 -75.39 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.56 0.538 . . . . 0.0 111.105 -179.482 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.616 HG23 ' N ' ' A' ' 111' ' ' ASN . 19.8 tt -49.79 -47.74 22.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.521 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.616 ' N ' HG23 ' A' ' 110' ' ' ILE . 58.2 t30 -65.75 -13.69 59.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.248 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' A' ' 108' ' ' VAL . 14.1 tp -84.08 -123.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.336 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -129.27 40.25 1.72 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -161.3 122.2 2.79 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -96.28 102.62 14.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.454 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.6 mt -106.51 129.3 54.49 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.178 0.513 . . . . 0.0 110.441 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.0 p -66.03 174.13 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.347 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.54 -33.25 75.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.48 -46.93 68.39 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.657 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.8 -43.88 97.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.103 0.478 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.512 HG11 ' HE ' ' A' ' 106' ' ' ARG . 76.5 t -64.29 -45.4 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.159 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 126' ' ' LYS . 37.3 tp10 -62.83 -23.11 67.12 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.203 0.525 . . . . 0.0 110.086 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -74.45 -57.21 4.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.457 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 19.9 ttp -55.92 -48.81 75.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.297 -178.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 126' ' ' LYS . 9.7 tp -60.23 -41.54 87.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.117 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.45 ' N ' HG23 ' A' ' 125' ' ' ILE . 24.1 mmtp -65.32 -40.28 93.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -72.0 -47.48 51.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.488 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -62.39 -36.08 81.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.468 ' OD2' ' OD1' ' A' ' 133' ' ' ASP . 52.8 t0 -75.9 104.3 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.52 ' CD1' ' HZ1' ' A' ' 143' ' ' LYS . 95.4 mt -72.79 -32.37 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.011 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 5.5 p30 -97.26 -0.86 45.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.691 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 50.8 32.79 26.48 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.468 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 36.6 p-10 -70.84 -13.44 62.04 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.526 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.74 -1.26 52.38 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -152.72 132.73 13.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.2 t -79.92 126.69 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.158 0.504 . . . . 0.0 110.413 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.595 HD22 ' N ' ' A' ' 137' ' ' ASN . 0.8 OUTLIER -88.82 155.09 19.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.387 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -50.96 -41.5 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.231 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.04 -48.61 79.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.929 0.395 . . . . 0.0 110.328 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.78 -37.45 87.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.063 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.87 -48.14 82.91 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.103 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.35 -47.19 88.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.004 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.52 ' HZ1' ' CD1' ' A' ' 130' ' ' LEU . 7.8 mtpm? -64.42 -30.68 71.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.273 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 144' ' ' MET . 1.4 tmt? -71.9 -26.81 62.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.483 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 146' ' ' MET . 0.7 OUTLIER -87.37 -19.67 27.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.641 -179.459 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 145' ' ' MET . 14.4 mtt . . . . . 0 CA--C 1.539 0.549 0 CA-C-O 121.402 0.62 . . . . 0.0 110.883 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -61.3 -42.53 98.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.468 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -63.59 -38.88 92.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.542 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -61.87 -46.02 91.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.488 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 5.0 m95 -64.47 -47.31 79.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.977 0.418 . . . . 0.0 109.92 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -64.31 -38.39 90.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.785 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.9 t -61.07 -44.8 96.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.134 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.594 ' O ' HG23 ' B' ' 30' ' ' VAL . 60.3 p -59.34 -44.19 92.67 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.436 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.97 -44.33 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.726 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.3 m -66.16 -40.51 90.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.348 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.43 -41.95 93.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.05 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 26' ' ' SER . 42.4 t -60.06 -46.62 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.713 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.71 -27.18 63.78 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.818 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.495 ' ND2' ' CZ ' ' A' ' 12' ' ' PHE . 1.8 t-20 -80.34 -33.03 37.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.392 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.469 ' NH1' ' C ' ' A' ' 112' ' ' LEU . 76.9 mtp180 -85.13 -49.63 8.09 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.23 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' B' ' 36' ' ' ARG . . . 36.2 56.46 1.04 Allowed 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 120.81 0.338 . . . . 0.0 110.8 -179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -53.09 -12.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.25 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.428 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 90.4 mtm-85 -108.9 -7.79 15.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.72 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.464 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 64.35 51.23 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.259 179.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -39.06 -33.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . 0.478 ' O ' ' N ' ' B' ' 43' ' ' LEU . 5.1 ttp -72.36 -64.68 0.9 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.46 -42.72 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.372 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -56.99 -43.21 81.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.235 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.481 ' O ' ' C ' ' B' ' 43' ' ' LEU . 29.5 m120 -93.77 -4.12 50.87 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.752 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.594 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.308 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 7' ' ' GLU . 2.6 m . . . . . 0 C--O 1.232 0.149 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.0 mt-10 -41.3 -25.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.788 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 8' ' ' GLN . 11.6 pt-20 -62.2 -49.84 74.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.407 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.531 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 15.4 mm100 -51.12 -52.83 39.98 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -59.36 -42.62 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.448 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 6' ' ' GLU . 29.2 t -59.33 -50.65 79.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.098 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -53.89 -48.31 70.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -65.95 -43.32 88.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -56.71 -43.07 80.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.652 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.89 -50.45 68.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.683 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.38 -42.57 67.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.14 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -59.15 -47.09 86.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.216 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.98 -39.39 56.89 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.74 -43.03 94.69 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -68.79 -43.07 76.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.373 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 40.2 t0 -88.08 75.92 8.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.751 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.51 -42.27 82.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.917 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' GLY . 48.2 p-10 -90.59 36.73 0.9 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.783 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.26 65.49 0.01 OUTLIER Glycine 0 C--N 1.345 1.034 0 O-C-N 124.277 0.985 . . . . 0.0 112.174 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 52.6 p-10 -93.99 -21.8 18.95 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 114.64 -27.47 8.78 Favored Glycine 0 N--CA 1.467 0.718 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.6 m -136.92 131.57 33.25 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.3 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.1 mt -75.45 133.44 31.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -99.59 152.99 19.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.7 t -49.86 -44.68 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.971 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -60.12 -55.19 36.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.283 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -51.87 -40.87 61.32 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.35 -41.4 98.86 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.497 0.665 . . . . 0.0 110.169 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.0 96.28 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.079 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.2 m -57.61 -44.47 85.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.013 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.55 -47.02 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.513 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.402 ' CD1' HD12 ' A' ' 32' ' ' LEU . 72.6 mt -64.65 -44.4 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -62.14 -39.27 92.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.659 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.57 ' C ' ' H ' ' A' ' 40' ' ' ASP . 53.0 p -69.17 -29.43 67.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.427 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.62 18.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.77 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.57 ' H ' ' C ' ' A' ' 38' ' ' SER . 3.9 m-20 70.11 62.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.988 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -165.86 162.12 18.16 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.746 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -144.71 62.97 10.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.826 0.346 . . . . 0.0 110.397 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -75.54 157.46 40.52 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 123.065 2.51 . . . . 0.0 111.934 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 47' ' ' GLU . 15.0 t -69.63 138.89 53.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.744 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' A' ' 48' ' ' LEU . 72.1 tt0 -56.39 -44.06 79.86 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.429 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -39.75 -45.22 1.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.799 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.518 ' H ' HG23 ' A' ' 44' ' ' THR . 96.1 mt-10 -68.42 -31.41 70.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.739 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 45' ' ' GLU . 48.6 mt -76.32 -46.13 29.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -64.68 -37.27 87.0 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.787 0.327 . . . . 0.0 110.72 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 54' ' ' GLU . 30.3 t70 -70.33 -52.24 24.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.2 ttp -57.56 -41.45 81.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.868 0.366 . . . . 0.0 110.695 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.422 HD13 HD11 ' A' ' 63' ' ' ILE . 9.0 mm -64.0 -41.89 93.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.3 m -87.38 -13.07 44.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.402 0.439 . . . . 0.0 110.764 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' ASP . 84.5 tt0 -57.91 -43.35 86.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.693 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.626 HG21 HD21 ' A' ' 71' ' ' LEU . 47.1 t -95.23 -38.39 8.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 20.6 t70 -39.58 106.34 0.05 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.207 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.17 6.31 33.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.726 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.9 p30 -129.14 14.22 6.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.181 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.489 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 32.74 40.38 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.519 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 12.1 m120 -78.99 -33.63 44.86 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.83 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.03 -5.91 58.07 Favored Glycine 0 N--CA 1.468 0.813 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.6 p -137.22 138.26 39.96 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.655 0.264 . . . . 0.0 110.357 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.422 HD11 HD13 ' A' ' 52' ' ' ILE . 82.2 mt -87.3 124.28 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.748 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -85.62 162.27 18.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.096 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -49.74 -48.06 50.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.434 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.36 -38.34 83.54 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.895 0.378 . . . . 0.0 110.212 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' OE2' ' OD2' ' A' ' 58' ' ' ASP . 96.8 mt-10 -72.46 -46.59 54.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -57.87 -44.74 86.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.933 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.2 tt -58.21 -54.65 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.173 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -59.0 -41.64 88.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.186 0.517 . . . . 0.0 110.318 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.626 HD21 HG21 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -51.24 -58.34 6.43 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.318 -178.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -41.52 70.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.728 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.41 78.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.867 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -70.8 -60.07 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.305 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 76' ' ' VAL . 27.9 mtmt -76.4 111.02 11.41 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 78' ' ' ASP . 23.8 t -155.91 -67.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.846 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' VAL . 65.1 tttm 33.45 -90.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.735 0.647 . . . . 0.0 110.99 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 80' ' ' ASP . 20.0 t0 -163.58 -19.13 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.523 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.517 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 4.7 p 63.12 -66.48 0.09 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.266 0.354 . . . . 0.0 110.595 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 78' ' ' ASP . 51.3 m-20 -162.17 142.37 10.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.669 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.66 -57.55 9.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -51.85 -20.91 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.05 0.452 . . . . 0.0 111.035 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -81.97 -54.2 5.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.39 -38.28 81.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.021 0.439 . . . . 0.0 110.646 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.82 -36.69 80.82 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.181 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -83.06 -45.21 14.29 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.302 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 91' ' ' VAL . 67.9 mm-40 -59.79 -39.83 86.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.204 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -58.85 4.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 33.2 t80 -54.97 -38.88 68.36 Favored 'General case' 0 CA--C 1.527 0.096 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.596 ' HZ1' HE22 ' A' ' 96' ' ' GLN . 28.9 tptt -60.88 -39.05 87.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.255 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 87' ' ' GLU . 70.2 t -74.01 -53.52 17.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.522 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -60.19 -48.5 81.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.927 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 96' ' ' GLN . 7.7 t0 -79.34 56.11 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -39.97 -60.65 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.613 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 6.3 p-10 -66.47 -6.59 15.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.091 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.596 HE22 ' HZ1' ' A' ' 90' ' ' LYS . 38.1 mt-30 46.12 57.96 4.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.475 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -96.64 -1.75 46.11 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.412 ' O ' ' OD1' ' A' ' 137' ' ' ASN . . . 91.63 3.23 69.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -144.06 148.63 35.43 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 122.681 -0.305 . . . . 0.0 110.392 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.3 mt -97.81 116.75 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 m -88.56 147.56 24.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.327 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.01 -45.42 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.9 t -59.9 -41.71 92.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.993 0.425 . . . . 0.0 110.547 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.42 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 83.5 mt-10 -63.72 -53.94 43.21 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.105 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.561 HD22 ' CH2' ' B' ' 23' ' ' TRP . 51.1 tp -67.6 -22.83 65.34 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.764 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.509 ' O ' HG22 ' A' ' 110' ' ' ILE . 62.9 ttp180 -83.38 -39.98 19.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.63 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.73 ' CE1' HD21 ' A' ' 111' ' ' ASN . 84.4 t60 -59.01 -47.07 86.54 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 109' ' ' MET . 61.7 t -63.43 -61.91 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.13 0 N-CA-C 109.128 -0.694 . . . . 0.0 109.128 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.9 OUTLIER -32.17 -74.92 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.388 0.43 . . . . 0.0 110.746 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.622 HG23 ' N ' ' A' ' 111' ' ' ASN . 15.1 tt -47.23 -49.35 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.713 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.73 HD21 ' CE1' ' A' ' 107' ' ' HIS . 93.9 m-20 -57.88 -10.39 1.72 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.323 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.6 mp -110.37 6.99 22.73 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.733 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.63 68.33 1.34 Allowed Glycine 0 CA--C 1.52 0.357 0 N-CA-C 111.324 -0.711 . . . . 0.0 111.324 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.447 ' CD ' ' SD ' ' A' ' 109' ' ' MET . 1.7 mt-10 -167.81 107.85 0.56 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.768 0.318 . . . . 0.0 110.398 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -101.58 100.55 10.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.971 0.415 . . . . 0.0 110.634 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.553 ' N ' HD12 ' A' ' 116' ' ' LEU . 10.4 mp -94.37 135.56 35.65 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.8 p -76.38 165.29 25.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.463 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -46.8 -53.51 11.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.637 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' ' 119' ' ' GLU . 56.8 mp0 -58.81 -41.42 86.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.836 0.351 . . . . 0.0 110.443 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -65.46 -40.05 92.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.708 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.07 -42.46 93.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.07 0.462 . . . . 0.0 110.087 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 82.3 tt0 -61.94 -60.7 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.423 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.67 -28.02 68.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.402 0.62 . . . . 0.0 110.528 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.4 tpt -60.73 -52.51 64.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.995 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.5 tt -91.27 -34.22 6.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.177 0.513 . . . . 0.0 111.274 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 87.6 tttt -63.1 -22.9 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.029 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -72.3 -52.73 14.95 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.308 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.489 ' HB2' ' NE1' ' B' ' 23' ' ' TRP . . . -58.05 -37.26 74.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.179 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.452 ' OD1' ' OE1' ' A' ' 140' ' ' GLU . 11.5 m-20 -81.83 104.24 12.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.523 HD12 ' N ' ' A' ' 130' ' ' LEU . 10.3 mp -64.62 -41.72 96.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.153 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -89.54 -3.64 58.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.366 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . 78.43 -144.31 28.0 Favored Glycine 0 CA--C 1.495 -1.206 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 132' ' ' GLY . 13.0 m-20 94.8 1.88 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 O-C-N 125.013 1.067 . . . . 0.0 111.045 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.57 16.49 29.71 Favored Glycine 0 C--N 1.331 0.283 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.41 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 23.4 mt-30 -143.59 137.53 28.43 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.094 0.473 . . . . 0.0 110.511 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.6 t -109.64 122.04 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.643 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 98' ' ' GLY . 58.9 t30 -84.57 157.54 21.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.533 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -48.49 -45.41 36.86 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.322 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.98 -45.63 94.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.139 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.452 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 96.1 mt-10 -64.18 -38.2 90.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.164 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -62.43 -48.05 81.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 146' ' ' MET . 53.8 t -58.41 -46.05 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.362 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.26 -36.47 82.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.815 0.341 . . . . 0.0 111.026 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.48 ' SD ' ' O ' ' A' ' 144' ' ' MET . 6.5 tpt -68.91 -38.12 79.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.239 0.542 . . . . 0.0 111.266 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 146' ' ' MET . 94.2 mmm -88.1 -27.11 22.14 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.096 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 142' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.501 0 O-C-N 124.171 0.919 . . . . 0.0 111.259 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -63.7 -40.6 97.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -68.59 -38.63 80.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.474 -179.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.52 ' N ' ' OE1' ' B' ' 21' ' ' GLN . 15.7 tpp180 -61.06 -44.24 97.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.383 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.561 ' CH2' HD22 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -62.62 -49.02 76.85 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.139 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -65.94 -38.25 88.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.778 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 68.6 m -59.46 -43.05 93.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.822 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.57 ' O ' HG23 ' B' ' 30' ' ' VAL . 7.1 p -61.19 -48.16 82.82 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.465 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.8 -37.28 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.042 0.449 . . . . 0.0 110.244 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.443 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 39.5 t -63.56 -42.78 98.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.153 0.501 . . . . 0.0 110.345 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.69 -27.39 35.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.487 -0.485 . . . . 0.0 109.868 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 26' ' ' SER . 43.7 t -69.26 -44.3 80.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.513 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' B' ' 28' ' ' SER . 27.0 pttt -63.22 -36.93 85.28 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.1 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.403 ' N ' ' HG2' ' B' ' 31' ' ' LYS . 86.5 m-20 -77.67 -33.68 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.846 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' B' ' 34' ' ' ALA . 72.7 ttt-85 -72.19 -46.66 55.38 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.846 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 23.81 79.81 0.02 OUTLIER 'General case' 0 C--N 1.347 0.476 0 O-C-N 123.996 0.81 . . . . 0.0 111.291 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.435 HH11 HH22 ' B' ' 33' ' ' ARG . 49.1 ttp180 -77.45 -10.94 59.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.052 -178.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.487 ' O ' ' OG ' ' B' ' 41' ' ' SER . 22.5 mtp180 -107.53 -1.36 21.4 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.454 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.2 OUTLIER 59.96 67.35 0.87 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.226 0.536 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -55.93 -36.14 67.41 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.434 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 63.1 mmm -66.45 -62.28 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.406 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 81.3 mt -62.82 -43.63 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.785 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' B' ' 36' ' ' ARG . 69.9 m -55.18 -43.76 74.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.24 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -64.15 -40.31 95.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.351 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.406 ' OXT' ' O ' ' B' ' 40' ' ' ILE . 44.3 mt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.248 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.778 0.323 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 10' ' ' VAL . 97.2 mt-10 -58.31 -37.08 74.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.445 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -50.7 -60.5 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.441 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 83.2 mm-40 -46.07 -36.2 5.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.042 0.448 . . . . 0.0 110.559 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.9 mt -77.75 -33.27 18.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.537 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 6' ' ' GLU . 47.0 t -65.08 -50.63 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.369 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -66.58 -42.0 87.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 110.05 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -63.03 -42.27 99.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.574 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -64.65 -33.8 76.78 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.259 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.24 -47.21 85.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.8 -36.79 84.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.142 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.51 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 35.9 t80 -59.87 -49.53 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.88 -33.12 82.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt -65.62 -49.19 69.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.941 0.4 . . . . 0.0 110.879 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CE1' HG11 ' A' ' 35' ' ' VAL . 4.0 m-85 -65.07 -32.82 74.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.42 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.51 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 58.6 m-20 -94.09 86.43 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.58 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -67.12 -37.16 83.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.785 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.2 OUTLIER -103.01 28.31 6.35 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.118 -178.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 25.95 51.88 0.06 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.625 ' C ' ' H ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -78.68 36.49 0.26 Allowed 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.401 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 23' ' ' GLY . . . 57.98 -6.28 0.04 OUTLIER Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.625 ' H ' ' C ' ' A' ' 24' ' ' ASP . 2.6 p -166.26 173.74 9.83 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.9 mt -103.86 116.2 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.896 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -89.22 154.75 19.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.674 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.8 t -45.69 -47.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.403 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.32 -53.82 53.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.757 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 95.0 mt-10 -50.6 -46.1 57.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.044 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.01 -42.47 99.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.55 -50.84 70.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.651 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -56.69 -47.37 80.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.43 HG11 ' CE1' ' A' ' 19' ' ' PHE . 71.8 t -61.33 -43.4 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.623 ' O ' ' N ' ' A' ' 40' ' ' ASP . 74.7 mt -60.88 -42.12 91.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.106 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.574 ' O ' ' O ' ' A' ' 40' ' ' ASP . 61.4 ttp180 -59.96 -34.53 73.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.146 0.498 . . . . 0.0 109.936 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.1 p -72.93 -43.34 62.48 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.094 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 39' ' ' LEU . 5.8 tt -93.73 4.04 54.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.431 0.634 . . . . 0.0 110.686 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.623 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.9 t70 -159.17 170.31 22.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.216 0.531 . . . . 0.0 110.594 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.82 -90.23 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.101 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -174.55 100.13 0.28 Allowed Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.317 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -78.99 -155.43 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.771 2.314 . . . . 0.0 111.275 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 46' ' ' GLU . 1.8 m -108.31 149.48 28.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.64 -44.02 97.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.98 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' N ' HG22 ' A' ' 44' ' ' THR . 80.7 mm-40 -64.91 -31.83 73.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.83 0.348 . . . . 0.0 110.655 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.42 -37.16 84.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.318 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.0 mt -74.45 -57.79 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.625 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -51.87 -26.72 10.69 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.06 0.457 . . . . 0.0 110.691 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -79.18 -46.89 17.02 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.11 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.478 ' SD ' ' OXT' ' B' ' 43' ' ' LEU . 9.3 ttt -66.02 -21.91 66.42 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.313 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 54' ' ' GLU . 5.1 mm -76.77 -72.01 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.9 t -48.95 -10.05 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.83 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 52' ' ' ILE . 42.9 tt0 -69.63 -38.78 77.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.006 0.431 . . . . 0.0 110.92 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.8 p -117.12 -11.22 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.059 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 67.0 t0 -93.72 101.03 13.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.358 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -43.8 -71.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.118 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.562 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.5 p30 -69.97 12.86 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.353 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 1.91 68.79 0.0 OUTLIER Glycine 0 N--CA 1.473 1.136 0 O-C-N 124.079 0.862 . . . . 0.0 111.929 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.547 HD21 ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -98.15 22.63 9.23 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.216 -0.492 . . . . 0.0 110.149 -179.38 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.68 13.36 58.77 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.467 ' OG1' ' OD1' ' A' ' 60' ' ' ASN . 15.2 p -138.61 155.26 48.47 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.563 -0.374 . . . . 0.0 110.469 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.3 mt -126.53 132.62 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.741 0.305 . . . . 0.0 110.218 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.463 ' HG3' ' H ' ' A' ' 67' ' ' GLU . 12.3 pt-20 -108.88 169.69 8.52 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.366 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -53.57 -42.66 67.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.494 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.5 -38.23 86.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.056 0.455 . . . . 0.0 110.328 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 96.6 mt-10 -76.54 -40.21 50.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.702 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -61.57 -44.87 96.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.925 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.57 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.3 tt -62.46 -46.43 88.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.927 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.7 m -61.39 -41.64 97.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.3 -50.66 73.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 75' ' ' LYS . 38.4 mmt -71.74 -38.51 70.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.75 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.89 -33.77 51.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.433 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -73.59 -45.47 52.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.741 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 72' ' ' MET . 62.0 mttp -79.64 141.99 35.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.177 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.447 ' O ' ' HB2' ' A' ' 77' ' ' LYS . 46.9 t 68.5 118.09 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 O-C-N 124.191 0.932 . . . . 0.0 110.139 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 76' ' ' VAL . 32.2 ttpt 162.4 -75.77 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.009 0.818 . . . . 0.0 110.474 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 78' ' ' ASP . 66.7 t0 -116.0 42.19 2.41 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.108 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -62.27 -84.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.502 ' N ' ' OG1' ' A' ' 79' ' ' THR . 0.1 OUTLIER 179.8 153.09 0.47 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 121.018 0.437 . . . . 0.0 110.177 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.14 -54.64 16.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.844 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -58.23 -23.73 56.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.141 0.496 . . . . 0.0 110.894 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.446 ' OE1' ' OG1' ' A' ' 79' ' ' THR . 83.2 mt-10 -76.76 -54.63 6.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.13 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -71.86 -32.24 67.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.945 0.403 . . . . 0.0 110.59 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.7 mt -66.38 -38.07 86.69 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.11 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -85.37 -42.07 14.89 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.268 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -58.75 -39.16 80.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.819 0.342 . . . . 0.0 110.195 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -57.23 7.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 36.6 t80 -51.65 -29.25 17.13 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.408 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -71.13 -36.71 72.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.9 t -76.06 -51.85 19.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.836 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -63.88 -46.77 83.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.537 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.469 ' OD1' ' OD1' ' A' ' 97' ' ' ASN . 21.5 t0 -89.28 66.35 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -44.79 -55.58 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.305 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -75.27 0.91 15.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.942 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 42.49 27.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.469 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 27.6 p-10 -63.36 -10.35 16.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.658 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.18 -15.87 50.36 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -129.88 133.39 46.86 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.5 mt -84.37 115.62 26.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.8 p -83.07 150.59 26.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.533 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.96 -44.58 70.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.607 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.6 p -55.04 -41.02 70.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.614 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.71 -45.7 81.76 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.251 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.3 tp -68.37 -31.36 70.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.345 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -61.25 -44.75 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' C ' ' N ' ' A' ' 109' ' ' MET . 62.9 m170 -68.0 -55.2 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.268 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.5 t -49.49 -18.73 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.364 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 107' ' ' HIS . 3.2 tpt -87.5 -76.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.692 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.3 tt -48.27 -34.96 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.461 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.434 ' N ' HG23 ' A' ' 110' ' ' ILE . 95.2 m-20 -51.03 -25.33 4.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.126 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 mt -89.6 1.19 56.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.14 -9.96 69.88 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 14.0 mp0 -82.39 106.53 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.813 0.339 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -89.43 104.25 16.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.82 0.343 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.82 128.55 53.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.351 0.596 . . . . 0.0 110.621 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 p -65.03 172.38 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.02 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.54 -31.29 72.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -67.43 -46.41 73.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -64.82 -40.6 95.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.678 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.19 -44.38 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.208 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.85 -31.33 72.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.041 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -68.28 -57.56 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.822 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.485 ' HE3' ' CD1' ' B' ' 23' ' ' TRP . 24.9 ttt -51.02 -57.94 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 111.065 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 129' ' ' ASP . 9.6 tp -53.17 -36.94 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.47 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.4 ' N ' HG23 ' A' ' 125' ' ' ILE . 88.1 tttt -67.57 -38.28 83.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -79.24 -16.82 55.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.665 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -101.96 -28.28 12.48 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.358 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 66.5 t0 -82.61 105.83 13.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.111 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 130' ' ' LEU . 10.9 mp -64.98 -42.83 94.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.971 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.458 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 5.4 m-20 -83.17 0.95 42.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.395 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 48.57 32.57 10.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.544 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 20.0 p-10 -92.34 15.05 14.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.725 0.298 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 68.38 23.9 75.02 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -150.85 159.28 44.65 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.309 0.576 . . . . 0.0 110.392 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.7 t -129.27 126.93 64.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.279 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -92.32 162.0 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.439 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -52.17 -41.83 62.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.023 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.96 -49.53 77.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.35 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.458 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 94.4 mt-10 -62.05 -39.95 94.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.322 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.57 -46.68 88.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.297 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.59 -47.22 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.028 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -61.36 -35.26 76.96 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.3 mmm -66.43 -23.88 66.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.609 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.3 tpt -90.54 -21.14 21.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.4 ptm . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 110.398 -179.768 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.428 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -57.99 -35.7 71.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.405 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -64.22 -43.7 94.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.303 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.428 ' HE ' ' HA ' ' B' ' 19' ' ' ALA . 83.0 mtm180 -60.49 -38.89 85.78 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.397 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.665 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.4 m95 -62.32 -49.95 73.56 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.646 -0.422 . . . . 0.0 109.958 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -68.49 -37.29 79.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.843 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.493 ' OG ' HD11 ' B' ' 29' ' ' ILE . 6.7 t -63.15 -43.17 99.06 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.037 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.474 ' O ' HG23 ' B' ' 30' ' ' VAL . 37.8 t -60.1 -45.15 93.94 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.101 -0.639 . . . . 0.0 110.507 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.6 t -69.25 -44.51 80.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.782 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m -68.34 -42.84 78.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.398 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' B' ' 33' ' ' ARG . 71.9 mt -62.25 -42.12 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 26' ' ' SER . 21.8 t -59.78 -44.87 94.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.379 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -82.63 -17.11 45.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.925 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -99.66 -11.4 20.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.177 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' B' ' 35' ' ' ARG . 60.4 ttt85 -104.94 -44.86 4.7 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.479 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.549 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 54.1 -75.59 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.119 0 O-C-N 123.291 0.369 . . . . 0.0 110.721 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' B' ' 33' ' ' ARG . 67.3 ttt180 68.72 -37.54 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.391 0.432 . . . . 0.0 110.392 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.549 ' H ' ' C ' ' B' ' 34' ' ' ALA . 83.9 mtp180 -92.8 -7.81 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.481 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.6 m-85 68.44 54.69 0.53 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 110.533 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -50.6 -32.5 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.905 0.383 . . . . 0.0 110.01 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . 0.444 ' N ' ' SD ' ' B' ' 39' ' ' MET . 2.4 mpt? -66.13 -67.92 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.852 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.14 -42.67 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.369 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' B' ' 36' ' ' ARG . 49.3 m -53.61 -46.74 70.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -65.03 -40.85 95.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.575 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.478 ' OXT' ' SD ' ' A' ' 51' ' ' MET . 51.2 mt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.366 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.583 0.23 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 10' ' ' VAL . 46.4 mt-10 -51.38 -41.5 60.72 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.952 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.7 mp0 -62.59 -52.25 64.14 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -49.63 -48.1 49.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mm -62.58 -43.31 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 6' ' ' GLU . 30.8 t -61.16 -51.29 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.349 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -57.07 -51.98 67.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -60.69 -42.77 97.8 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.045 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -61.15 -36.28 79.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.257 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.531 ' OE2' ' NH2' ' B' ' 35' ' ' ARG . 72.6 tt0 -63.28 -50.63 69.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.016 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.19 -38.15 68.0 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.999 0.428 . . . . 0.0 109.998 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 38.1 t80 -61.29 -46.58 89.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.034 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.62 -37.86 78.49 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.12 -51.99 65.68 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.776 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CD1' HD12 ' A' ' 32' ' ' LEU . 25.1 m-85 -53.15 -33.1 51.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.577 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 81.7 m-20 -99.59 76.51 2.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.595 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HG3' ' H ' ' A' ' 21' ' ' LYS . 29.4 mtmt -51.69 -26.19 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.131 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 23' ' ' GLY . 45.3 p30 -107.99 36.74 2.67 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.679 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.87 63.5 0.01 OUTLIER Glycine 0 N--CA 1.471 0.97 0 O-C-N 123.832 0.708 . . . . 0.0 112.166 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 47.3 p-10 -86.44 -26.73 24.55 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 111.79 9.7 20.33 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.466 ' SG ' ' OD2' ' A' ' 24' ' ' ASP . 30.1 p -160.57 163.93 32.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.824 0.345 . . . . 0.0 110.361 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.1 mt -117.06 123.15 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.014 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 m -106.25 152.47 23.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.826 0.346 . . . . 0.0 110.802 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.1 t -48.91 -40.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.373 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.77 -54.59 40.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.336 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -60.54 -45.11 95.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.055 0.455 . . . . 0.0 110.25 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.517 HD12 ' CD1' ' A' ' 19' ' ' PHE . 6.6 tp -65.07 -38.53 91.06 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.407 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.39 92.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.928 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -58.01 -43.52 86.74 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.01 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -64.74 -45.44 95.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.333 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.73 -44.56 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.642 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -62.86 -36.48 83.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.472 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.3 m -84.77 18.65 2.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.179 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -114.62 17.65 17.12 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.333 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 12.0 t0 87.8 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.215 0.947 . . . . 0.0 110.496 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -86.9 146.14 26.29 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.953 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.544 ' H ' HD22 ' A' ' 42' ' ' ASN . 0.1 OUTLIER -141.22 67.63 26.33 Favored Pre-proline 0 N--CA 1.466 0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.188 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.03 154.16 42.15 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.679 2.252 . . . . 0.0 112.166 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.5 t -58.79 149.35 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.682 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -67.03 -30.21 70.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.545 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -55.62 -46.0 77.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.356 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' H ' HG23 ' A' ' 44' ' ' THR . 1.3 tm-20 -58.96 -59.16 5.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.312 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.412 ' H ' ' HG ' ' A' ' 48' ' ' LEU . 64.9 mt -48.81 -43.47 38.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.04 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -60.41 -46.61 89.4 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.768 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.65 -48.69 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 29.7 ttp -63.21 -45.32 92.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.527 HD13 HD11 ' A' ' 63' ' ' ILE . 8.1 mm -65.95 -41.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.273 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.7 p -71.64 -35.57 70.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.48 -38.16 68.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.74 HG21 HD13 ' A' ' 71' ' ' LEU . 61.4 t -87.35 -51.13 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -57.29 94.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.733 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.624 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.99 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.528 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 59' ' ' GLY . 33.6 p-10 -62.35 11.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.667 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.624 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 32.0 64.16 0.24 Allowed Glycine 0 C--N 1.338 0.657 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 62' ' ' THR . 33.6 p30 -101.39 29.19 4.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.762 0.315 . . . . 0.0 110.158 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 44.09 17.07 0.06 OUTLIER Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.716 -0.953 . . . . 0.0 110.716 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 60' ' ' ASN . 17.7 p -139.5 140.98 37.36 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.1 0.476 . . . . 0.0 110.573 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.527 HD11 HD13 ' A' ' 52' ' ' ILE . 72.1 mt -107.56 128.26 62.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -90.32 161.65 15.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.314 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -48.47 -48.3 37.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.342 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.54 -39.13 79.32 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -74.06 -39.96 63.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.1 -46.77 87.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.556 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.603 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.7 tt -61.78 -48.69 79.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.217 -178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.0 p -64.1 -43.02 96.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.577 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.74 HD13 HG21 ' A' ' 55' ' ' VAL . 40.4 tp -58.2 -48.33 80.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.8 tpt -71.8 -37.63 70.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.49 69.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.867 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -60.55 -64.67 0.87 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.477 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.583 ' O ' ' C ' ' A' ' 76' ' ' VAL . 28.3 tptp -44.87 -84.54 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.583 ' C ' ' O ' ' A' ' 75' ' ' LYS . 61.1 t -11.21 117.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 123.917 0.761 . . . . 0.0 110.903 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -173.98 -106.7 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.211 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 78' ' ' ASP . 65.9 t0 -175.37 35.79 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.853 0.359 . . . . 0.0 110.199 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.0 p -63.43 -65.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.18 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.87 116.14 28.58 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.119 0.485 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.99 -52.99 9.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.428 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -55.1 -14.67 1.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -84.71 -58.61 2.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -66.03 -34.27 77.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.324 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 142' ' ' VAL . 3.2 tp -71.88 -35.95 69.92 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.05 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -83.71 -46.11 12.64 Favored 'General case' 0 C--N 1.338 0.068 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.532 ' O ' HG23 ' A' ' 91' ' ' VAL . 92.2 mt-10 -58.67 -41.68 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.898 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.42 -57.77 9.21 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.875 0.369 . . . . 0.0 110.169 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.02 -38.49 73.21 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.243 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.94 -37.78 80.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.28 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 87' ' ' GLU . 94.7 t -76.58 -48.82 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 110.693 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -58.88 -47.63 84.27 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.098 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 96' ' ' GLN . 38.9 t0 -88.74 61.37 5.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.274 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -38.52 -59.56 0.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.784 0.326 . . . . 0.0 111.407 -178.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 56.1 p30 -62.72 -10.72 13.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.571 ' N ' ' O ' ' A' ' 93' ' ' ASP . 52.1 mt-30 43.77 67.03 0.71 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.424 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -108.23 0.67 21.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.465 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.83 -1.2 63.27 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -140.05 145.19 37.4 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.516 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.7 mt -96.43 116.09 37.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 120.883 0.373 . . . . 0.0 110.209 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 m -85.75 147.13 26.47 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.187 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -43.83 68.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.783 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -60.26 -43.85 95.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.717 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 92.6 mt-10 -65.24 -51.05 63.33 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.16 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.431 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 48.2 tp -66.82 -22.91 65.99 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.79 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.558 ' O ' HG22 ' A' ' 110' ' ' ILE . 61.3 ttp180 -82.53 -41.39 19.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -56.85 -50.72 71.57 Favored 'General case' 0 CA--C 1.52 -0.178 0 O-C-N 123.765 0.666 . . . . 0.0 109.559 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.507 ' O ' ' C ' ' A' ' 109' ' ' MET . 46.0 t -62.53 -64.24 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.828 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.507 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.1 tpt -30.41 -74.34 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.977 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.639 HG23 ' N ' ' A' ' 111' ' ' ASN . 7.1 tp -47.18 -50.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.657 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.639 ' N ' HG23 ' A' ' 110' ' ' ILE . 21.4 t-20 -51.25 -9.3 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.392 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.617 ' CD2' ' HE ' ' B' ' 33' ' ' ARG . 85.3 mt -110.27 81.98 1.52 Allowed 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.712 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 12.72 61.69 0.01 OUTLIER Glycine 0 N--CA 1.471 1.025 0 O-C-N 123.689 0.618 . . . . 0.0 112.084 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.598 ' O ' HD12 ' A' ' 110' ' ' ILE . 60.0 mt-10 -144.78 120.81 10.72 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.044 0.45 . . . . 0.0 110.22 -178.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -100.63 88.46 3.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.291 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 65.8 mt -118.61 128.41 54.51 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.058 0.456 . . . . 0.0 110.908 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.7 p -68.18 167.78 13.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.414 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 122' ' ' GLU . 42.1 t0 -62.42 -27.41 69.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.303 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -65.24 -51.59 59.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.653 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -59.27 -42.62 91.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.978 0.418 . . . . 0.0 110.539 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.01 -46.48 88.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.147 0.499 . . . . 0.0 110.771 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.419 ' OE2' ' OD2' ' A' ' 118' ' ' ASP . 90.7 mt-10 -60.76 -23.71 65.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.758 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -75.51 -59.23 2.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.615 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.412 ' SD ' ' CG ' ' B' ' 22' ' ' ARG . 12.4 ttp -46.7 -51.78 15.32 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.274 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.581 HG23 ' N ' ' A' ' 126' ' ' LYS . 19.8 tt -61.05 -45.35 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.581 ' N ' HG23 ' A' ' 125' ' ' ILE . 38.2 ttpt -61.84 -38.39 88.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.392 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -68.02 -47.12 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.474 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.31 -35.49 79.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.132 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 41.8 t0 -69.22 99.82 1.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.938 0.399 . . . . 0.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.0 mt -72.95 -42.32 63.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.271 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.517 ' O ' ' O ' ' A' ' 132' ' ' GLY . 19.5 p-10 -85.42 1.37 48.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.766 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 50.72 112.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 3.6 p30 -160.95 -20.9 0.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.526 -0.397 . . . . 0.0 110.465 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.8 6.42 49.51 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.52 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 8.3 mt-30 -147.24 156.27 42.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.922 0.391 . . . . 0.0 110.481 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.2 t -115.71 124.19 71.88 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.202 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.72 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -84.73 151.3 24.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.614 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.455 ' O ' HG23 ' A' ' 142' ' ' VAL . 72.6 t80 -51.57 -42.3 61.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.303 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -62.45 -49.19 76.42 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.944 0.402 . . . . 0.0 110.002 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.28 -37.97 85.08 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 55.1 t80 -64.28 -47.53 79.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.04 0.448 . . . . 0.0 110.418 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.839 HG22 HD21 ' A' ' 85' ' ' LEU . 79.6 t -59.8 -45.55 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -61.0 -36.0 78.32 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.335 0.397 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.6 ttt -72.52 -33.08 66.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.606 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 6.2 mtp -75.48 -26.06 57.87 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.193 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 44.9 mmm . . . . . 0 C--O 1.22 -0.481 0 O-C-N 124.289 0.993 . . . . 0.0 111.202 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -63.99 -37.95 89.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.656 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.15 -43.57 91.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.454 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.412 ' CG ' ' SD ' ' A' ' 124' ' ' MET . 18.6 tpp85 -62.56 -43.18 99.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.079 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.431 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 2.7 m95 -58.34 -44.85 88.92 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -65.39 -37.23 86.35 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.903 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 40.6 m -58.9 -45.81 89.39 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.185 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.56 ' O ' HG23 ' B' ' 30' ' ' VAL . 14.8 m -61.74 -43.83 98.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.273 0.558 . . . . 0.0 110.354 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.64 -40.36 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.476 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 70.3 m -61.32 -42.63 98.99 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.72 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.401 ' CD1' ' OE2' ' A' ' 114' ' ' GLU . 96.4 mt -68.29 -28.74 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.437 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 26' ' ' SER . 43.0 t -67.92 -44.51 85.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.619 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' B' ' 32' ' ' ASN . 28.9 pttt -64.97 -36.54 84.73 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.831 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' B' ' 31' ' ' LYS . 92.7 m-20 -71.5 -39.5 70.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.357 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.617 ' HE ' ' CD2' ' A' ' 112' ' ' LEU . 60.7 ttm-85 -64.16 -46.32 84.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.059 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 37.75 64.64 0.64 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.713 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.531 ' NH2' ' OE2' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -70.57 7.76 1.01 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.637 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.427 ' H ' ' C ' ' B' ' 34' ' ' ALA . 35.0 mmt180 -126.69 -1.06 6.74 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.489 0.493 . . . . 0.0 110.463 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.438 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 5.3 m-85 62.66 47.29 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.45 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -41.16 -33.77 0.39 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.894 0.378 . . . . 0.0 110.701 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . 0.511 ' SD ' ' N ' ' B' ' 40' ' ' ILE . 1.8 tmt? -66.99 -70.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.681 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.511 ' N ' ' SD ' ' B' ' 39' ' ' MET . 85.3 mt -62.06 -43.25 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.307 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.6 p -54.06 -45.41 71.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.168 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.19 -41.18 97.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.368 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.31 -179.483 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.774 0.321 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.594 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 43.5 mp0 -53.83 -24.72 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -61.23 -54.62 41.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 2.4 mp0 -49.81 -43.04 48.4 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.06 -43.27 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.518 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 6' ' ' GLU . 25.5 t -59.36 -48.75 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.133 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.85 -47.44 86.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.039 0.447 . . . . 0.0 109.879 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -61.64 -44.99 95.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.281 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -64.79 -37.74 88.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.951 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -58.42 -51.38 70.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.87 89.56 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.471 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -61.84 -50.08 73.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.682 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.28 -32.51 81.0 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.532 ' C ' HD23 ' A' ' 18' ' ' LEU . 4.9 tt -62.92 -53.57 51.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.57 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.512 ' CE1' HG11 ' A' ' 35' ' ' VAL . 1.7 m-85 -57.25 -27.63 62.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.217 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 37.6 t0 -101.12 88.33 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -66.3 -35.91 81.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.092 0.473 . . . . 0.0 110.392 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.58 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.1 p30 -95.73 31.41 2.07 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.797 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.26 65.42 0.01 OUTLIER Glycine 0 N--CA 1.468 0.773 0 O-C-N 123.442 0.464 . . . . 0.0 112.077 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 58.1 m-20 -91.53 -26.31 18.83 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.473 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 111.05 3.39 28.01 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 5.6 m -163.18 127.54 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 110.648 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.5 mt -76.82 123.56 33.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.893 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.0 m -98.26 152.81 19.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.61 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 t -47.64 -43.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.154 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -58.59 -60.93 3.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 69.4 mt-10 -53.66 -44.1 69.35 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.237 0.541 . . . . 0.0 109.737 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD12 ' CE1' ' A' ' 19' ' ' PHE . 6.9 tp -61.38 -38.8 88.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.22 -48.18 81.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.178 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.2 m -56.82 -51.01 70.67 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.301 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.512 HG11 ' CE1' ' A' ' 19' ' ' PHE . 86.8 t -59.33 -43.91 91.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.436 ' CD1' HD21 ' A' ' 48' ' ' LEU . 72.5 mt -62.9 -43.15 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.691 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -54.11 -46.65 72.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.316 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.7 p -70.05 -39.72 75.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.175 0.512 . . . . 0.0 109.796 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 36.9 tp -72.57 -3.83 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.868 0.842 . . . . 0.0 110.191 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -159.37 -134.49 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.48 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -151.96 66.35 0.85 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 48.94 82.94 0.23 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.562 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.34 -94.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.714 2.276 . . . . 0.0 112.081 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.682 ' O ' HD13 ' A' ' 48' ' ' LEU . 8.6 t -156.13 137.03 13.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.145 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -68.72 -19.62 64.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -67.16 -63.2 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.62 -21.93 20.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.682 HD13 ' O ' ' A' ' 44' ' ' THR . 6.1 mp -73.68 -62.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.795 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 53' ' ' SER . 87.7 mt-30 -66.44 -23.61 66.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.147 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -68.67 -53.03 24.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.162 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.7 mtm -62.63 -42.72 99.76 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.937 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.464 HG12 HD11 ' A' ' 63' ' ' ILE . 68.6 mt -73.2 -25.67 21.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.777 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 5.4 t -69.76 -47.76 61.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.034 0.445 . . . . 0.0 111.042 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -53.37 -32.77 50.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.459 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 57' ' ' ALA . 65.0 t -96.64 -55.5 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.985 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.47 ' OD2' ' OD1' ' A' ' 60' ' ' ASN . 60.0 t0 -42.73 92.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.991 0.424 . . . . 0.0 110.48 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.619 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -47.48 -72.52 0.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.89 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.54 ' O ' ' C ' ' A' ' 59' ' ' GLY . 45.9 p-10 -65.51 19.56 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.047 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.619 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 20.48 58.62 0.01 OUTLIER Glycine 0 C--N 1.341 0.832 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.472 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 51.1 p-10 -90.45 -25.35 20.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.88 0.371 . . . . 0.0 110.173 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 102.81 14.26 27.52 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.472 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 7.6 p -140.14 150.07 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.473 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.464 HD11 HG12 ' A' ' 52' ' ' ILE . 84.5 mt -102.76 125.2 57.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.939 0.4 . . . . 0.0 110.682 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' GLU . 83.6 tt0 -101.59 158.13 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.191 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' GLU . 80.7 t80 -37.83 -57.64 0.99 Allowed 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 66.0 t0 -54.38 -35.86 63.27 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 120.956 0.407 . . . . 0.0 110.667 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' GLU . 71.6 mt-10 -75.87 -32.12 59.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.829 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.04 -44.12 81.03 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.24 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' ALA . 9.9 mp -62.35 -42.87 99.74 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.157 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.3 m -58.98 -43.33 91.38 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 121.499 0.666 . . . . 0.0 110.76 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.57 -47.04 85.59 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.248 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 8.8 mmt -77.74 -32.25 52.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.403 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -50.09 -33.96 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.968 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -81.36 -18.14 46.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 76' ' ' VAL . 64.8 tttm -71.02 129.19 38.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.235 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 75' ' ' LYS . 39.4 t 55.65 121.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -129.71 -146.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -89.59 28.24 1.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.766 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 80' ' ' ASP . 0.6 OUTLIER -147.72 -144.16 0.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.702 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.494 ' H ' HG22 ' A' ' 79' ' ' THR . 93.9 m-20 54.51 54.57 9.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.61 -57.28 4.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.75 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.51 -19.36 64.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.97 0.414 . . . . 0.0 110.71 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.454 ' OE1' ' OE2' ' A' ' 87' ' ' GLU . 1.9 tm-20 -76.31 -48.36 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.47 ' OE2' HG13 ' A' ' 76' ' ' VAL . 94.9 mt-10 -80.42 -37.05 32.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.105 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.53 -33.9 76.98 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.235 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -83.28 -40.9 18.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.342 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.547 ' OE1' ' NH2' ' B' ' 38' ' ' ARG . 95.2 mt-10 -66.41 -39.11 88.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.3 -56.07 17.02 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.187 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 62.6 t80 -55.19 -41.77 72.37 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.983 0.42 . . . . 0.0 109.982 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.556 ' HZ1' HE22 ' A' ' 96' ' ' GLN . 63.6 tttp -59.15 -33.79 71.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.157 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.5 t -74.72 -60.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 8.4 m-85 -51.48 -44.42 62.47 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.252 -179.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' CZ ' ' A' ' 89' ' ' PHE . 21.3 m-20 -84.45 64.12 8.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.907 0.384 . . . . 0.0 110.87 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -41.93 -55.81 2.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.131 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 10.6 p30 -70.84 -3.69 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.188 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.556 HE22 ' HZ1' ' A' ' 90' ' ' LYS . 86.3 mt-30 44.12 44.25 6.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.639 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 50.4 p30 -82.44 -2.3 52.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.402 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.76 -3.42 74.31 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -137.57 143.86 41.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 0.0 110.542 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.5 mt -92.14 112.46 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.453 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 61.4 m -88.21 148.12 24.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.432 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.19 -45.15 53.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.7 t -60.16 -44.45 94.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.9 0.381 . . . . 0.0 110.704 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 60.9 mt-10 -61.74 -54.5 41.66 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.176 0.513 . . . . 0.0 110.682 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.442 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 55.1 tp -65.86 -22.25 66.52 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.861 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.455 ' O ' HG22 ' A' ' 110' ' ' ILE . 43.8 ttm180 -77.97 -49.19 14.57 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.109 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -53.78 -49.71 67.66 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.708 ' CG1' HD23 ' A' ' 112' ' ' LEU . 46.1 t -60.71 -66.57 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.041 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.473 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -32.2 -73.86 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.255 0.347 . . . . 0.0 111.18 -178.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.594 HG23 ' N ' ' A' ' 111' ' ' ASN . 21.1 tt -51.22 -45.31 31.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.488 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.594 ' N ' HG23 ' A' ' 110' ' ' ILE . 57.6 t30 -70.58 -8.46 51.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.236 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.708 HD23 ' CG1' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -86.12 18.3 3.16 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.973 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.04 -73.03 0.53 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -53.83 134.87 42.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.348 . . . . 0.0 110.188 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.497 ' C ' HD12 ' A' ' 116' ' ' LEU . 61.0 mttp -93.76 108.24 20.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.798 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 115' ' ' LYS . 9.6 mp -116.51 133.59 55.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.611 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.8 p -72.83 174.43 7.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.563 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 -69.37 -26.01 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.607 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -67.87 -50.44 56.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.46 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.547 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 23.6 tp10 -60.49 -44.76 95.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.25 0.548 . . . . 0.0 110.409 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.405 ' O ' ' HG2' ' A' ' 124' ' ' MET . 93.4 t -64.74 -41.14 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.08 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.1 -28.92 70.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.88 0.372 . . . . 0.0 110.508 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -69.13 -53.24 21.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.412 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 11.9 ptm -57.86 -38.56 75.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.303 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 124' ' ' MET . 4.3 mm -64.04 -43.2 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.272 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -69.44 -36.62 76.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.842 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -78.66 -57.06 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.285 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.455 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -49.69 -37.0 27.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.208 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 25.1 t0 -91.5 109.24 20.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.842 0.353 . . . . 0.0 110.114 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 130' ' ' LEU . 11.2 mp -61.3 -46.05 91.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.928 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 4.2 p30 -75.46 -4.93 42.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.706 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 46.51 42.07 13.31 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 57.4 m-20 -79.94 20.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 64.7 5.03 16.04 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -148.38 156.94 43.13 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.028 0.442 . . . . 0.0 110.489 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.4 t -122.25 125.69 73.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.773 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.605 HD22 ' N ' ' A' ' 137' ' ' ASN . 0.9 OUTLIER -90.46 155.12 19.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.724 179.445 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -46.93 -42.92 18.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.387 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -61.77 -51.92 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.359 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 98.9 mt-10 -58.11 -40.67 81.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.253 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -61.66 -46.52 89.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.5 -45.88 93.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.467 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -64.36 -32.95 74.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.87 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 144' ' ' MET . 2.2 tmm? -76.52 -30.43 57.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.221 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.4 tpp -88.86 -27.61 20.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.545 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 16.1 mmt . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.884 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -65.43 -35.46 81.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.484 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -63.69 -47.89 79.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.361 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.547 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 41.2 ttm105 -60.14 -44.66 94.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.076 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.455 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 8.6 m95 -61.09 -49.0 79.08 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.308 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -65.96 -34.22 77.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.042 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 66.7 m -59.28 -48.61 80.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.589 ' O ' HG23 ' B' ' 30' ' ' VAL . 15.8 m -61.94 -42.15 98.78 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.299 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t -68.21 -43.83 84.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 91.2 p -65.56 -44.56 86.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.073 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 33' ' ' ARG . 75.1 mt -63.17 -41.99 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.589 HG23 ' O ' ' B' ' 26' ' ' SER . 27.1 t -58.49 -45.38 90.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.209 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -64.44 -44.13 92.12 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.646 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -74.92 -27.62 60.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.25 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' B' ' 29' ' ' ILE . 66.1 ttp85 -66.75 -58.43 5.09 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.797 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 24.81 44.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.797 0.686 . . . . 0.0 111.366 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' B' ' 33' ' ' ARG . 54.8 ttp180 -59.64 -2.71 0.38 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.74 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' B' ' 34' ' ' ALA . 31.5 ptt180 -111.06 -5.2 14.83 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.417 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 2.2 m-85 65.95 47.21 2.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.604 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.547 ' NH2' ' OE1' ' A' ' 87' ' ' GLU . 13.7 ptm180 -43.86 -26.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.561 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 26.9 ttt -70.11 -64.2 0.93 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.398 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.84 -42.92 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.293 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' B' ' 42' ' ' ASN . 6.0 p -54.06 -53.05 58.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.139 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' B' ' 38' ' ' ARG . 80.0 m-20 -69.96 -39.4 76.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.965 0.412 . . . . 0.0 110.662 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.543 -179.242 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 p . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 120.84 0.352 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 10' ' ' VAL . 95.8 mt-10 -50.26 -28.92 8.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.414 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -59.0 -28.44 66.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.013 0.435 . . . . 0.0 110.771 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.531 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 9.4 mp0 -78.99 -55.32 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.987 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.2 mm -61.62 -40.49 86.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.341 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 6' ' ' GLU . 40.5 t -60.31 -50.7 79.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.227 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.479 ' O ' ' NH2' ' B' ' 33' ' ' ARG . 31.4 m-20 -54.34 -52.52 61.33 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.201 0.524 . . . . 0.0 110.523 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -63.49 -42.2 98.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.555 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -61.0 -42.48 98.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.203 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.49 ' HB2' HH22 ' B' ' 33' ' ' ARG . 85.6 mt-10 -55.23 -52.35 63.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.129 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.39 -46.01 87.23 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.217 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.467 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 34.2 t80 -58.24 -48.77 79.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.128 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.05 -34.94 62.76 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.613 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.9 tt -62.28 -52.47 63.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.009 0.433 . . . . 0.0 110.086 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.633 ' CE1' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -53.35 -32.86 51.17 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.16 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 98.4 m-20 -93.88 76.35 4.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.684 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -51.86 -32.98 34.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.365 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 23' ' ' GLY . 53.3 p30 -101.98 37.7 1.8 Allowed 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.964 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.97 66.73 0.01 OUTLIER Glycine 0 C--N 1.343 0.953 0 O-C-N 124.085 0.866 . . . . 0.0 111.581 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 42.4 p-10 -92.72 -26.12 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -178.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 108.67 14.26 16.25 Favored Glycine 0 N--CA 1.465 0.6 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 9.4 m -162.61 166.04 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.7 mt -114.7 118.9 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 m -101.44 150.63 22.84 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.974 0.416 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.9 t -48.71 -42.4 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.04 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -61.98 -53.19 59.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.488 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.433 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 68.8 mt-10 -58.39 -44.45 88.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.939 0.4 . . . . 0.0 110.028 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.633 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.7 tp -60.9 -35.19 76.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.18 78.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 m -60.18 -48.74 80.45 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.719 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.1 t -60.48 -46.13 95.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.501 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' ASP . 76.6 mt -60.18 -43.14 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.485 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 40' ' ' ASP . 72.8 ttp85 -58.23 -33.17 69.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.068 0.461 . . . . 0.0 110.361 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -71.83 -41.25 68.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.872 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.4 pp -97.05 4.06 51.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.312 0.577 . . . . 0.0 110.932 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 37' ' ' ARG . 32.8 t70 -170.31 176.99 4.29 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -65.62 -153.52 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.252 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -122.88 82.97 49.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.948 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -55.44 -169.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.826 2.351 . . . . 0.0 111.796 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.578 HG22 ' H ' ' A' ' 46' ' ' GLU . 54.8 m -92.37 136.52 33.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.069 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -53.03 -40.32 63.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.578 ' H ' HG22 ' A' ' 44' ' ' THR . 77.6 tt0 -49.14 -42.57 39.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.321 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.04 -34.0 77.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.959 0.409 . . . . 0.0 110.466 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 48' ' ' LEU . 10.9 mp -74.41 -45.47 46.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.024 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -69.48 -30.14 67.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.17 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' GLU . 28.5 t70 -70.02 -57.6 4.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.752 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -60.07 -40.86 90.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.46 . . . . 0.0 110.734 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.687 HD13 HD11 ' A' ' 63' ' ' ILE . 5.8 mm -65.43 -38.58 82.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.678 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.8 t -85.1 -19.98 31.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.724 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ASP . 42.4 tp10 -57.2 -44.9 84.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.594 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 57' ' ' ALA . 92.1 t -97.77 -52.05 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.727 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -47.84 89.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.575 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.577 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.19 -73.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.6 p30 -59.3 4.71 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.827 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 18.48 60.42 0.01 OUTLIER Glycine 0 C--N 1.346 1.136 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.3 p-10 -76.76 -13.96 59.98 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.541 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.99 -1.6 44.5 Favored Glycine 0 N--CA 1.463 0.454 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.4 p -141.5 149.2 40.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.659 0.266 . . . . 0.0 110.645 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.687 HD11 HD13 ' A' ' 52' ' ' ILE . 67.0 mt -100.24 123.68 53.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.015 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -87.45 160.48 18.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.161 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -45.27 -53.79 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -54.9 -38.97 68.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.934 0.397 . . . . 0.0 110.694 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.73 -38.32 67.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.942 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.11 -44.98 96.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.119 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 73' ' ' ALA . 3.8 mm? -62.13 -50.78 70.51 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.5 p -65.38 -43.99 88.99 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.957 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.11 -45.07 83.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.0 tpt -83.57 -51.59 7.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 69' ' ' LEU . . . -53.06 -33.89 54.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.872 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -72.18 -58.24 3.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.084 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -36.81 -68.4 0.14 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.474 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.5 t -83.83 75.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.028 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -94.24 -100.89 0.15 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.42 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 78' ' ' ASP . 59.5 t0 -111.33 21.58 16.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.891 0.377 . . . . 0.0 110.711 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.567 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 1.5 t -142.98 134.41 26.23 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-O 117.644 -1.17 . . . . 0.0 109.049 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.567 ' CG ' ' O ' ' A' ' 79' ' ' THR . 36.1 m-20 138.26 35.39 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 O-C-N 125.508 1.755 . . . . 0.0 110.665 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.61 -58.71 5.08 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.581 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.481 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 48.4 mp0 -61.23 -21.85 64.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.879 0.371 . . . . 0.0 110.461 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.25 -43.45 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 7.6 pt-20 -82.27 -35.56 27.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.258 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.98 -38.29 85.78 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.205 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -80.58 -43.73 20.13 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.231 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.547 ' OE1' ' NE ' ' B' ' 38' ' ' ARG . 58.8 mt-10 -66.81 -41.78 86.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.104 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -57.74 -51.76 68.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.667 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.3 -42.02 85.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.357 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -58.14 -37.34 74.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 87' ' ' GLU . 92.6 t -77.21 -48.79 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.429 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.09 -49.97 75.55 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.068 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.614 ' O ' ' N ' ' A' ' 96' ' ' GLN . 55.9 t0 -89.56 57.23 3.86 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.342 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' ASP . 16.4 ttmm -37.23 -50.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.745 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.453 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.3 m-20 -63.8 -24.52 67.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.752 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 93' ' ' ASP . 76.7 mt-30 61.35 19.26 10.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -65.48 -0.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.604 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 91.51 4.93 67.51 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -141.16 146.35 36.89 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.75 0.31 . . . . 0.0 110.635 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.2 mt -98.3 111.29 27.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.3 p -81.57 151.84 27.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.592 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.84 74.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.62 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.0 p -60.5 -41.91 95.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 110.663 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.453 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 29.9 mt-10 -65.01 -49.91 68.35 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.122 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.7 tp -67.09 -23.14 65.82 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.115 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.54 ' O ' HG22 ' A' ' 110' ' ' ILE . 78.6 ttt180 -83.75 -41.44 17.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.705 ' CD2' HD21 ' A' ' 111' ' ' ASN . 21.0 t-80 -57.82 -50.0 74.76 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.564 0.54 . . . . 0.0 109.711 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 109' ' ' MET . 46.0 t -61.9 -64.49 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.863 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' VAL . 5.8 tpt -32.85 -73.97 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.821 0.343 . . . . 0.0 111.262 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.623 HG23 ' N ' ' A' ' 111' ' ' ASN . 17.4 tt -49.23 -48.07 18.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.132 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.705 HD21 ' CD2' ' A' ' 107' ' ' HIS . 89.8 m-20 -57.29 -14.44 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.274 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 114' ' ' GLU . 7.1 mp -107.83 82.76 1.69 Allowed 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.625 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 36.36 -83.71 0.0 OUTLIER Glycine 0 CA--C 1.521 0.456 0 O-C-N 123.747 0.654 . . . . 0.0 111.607 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 112' ' ' LEU . 52.4 tp10 -50.49 118.04 2.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.934 0.397 . . . . 0.0 110.453 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.51 ' C ' HD12 ' A' ' 116' ' ' LEU . 20.8 pttm -112.03 136.7 51.05 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.549 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 115' ' ' LYS . 10.5 mp -113.32 144.52 42.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.6 p -70.12 -178.52 1.66 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.36 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.18 -32.67 70.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -71.29 -42.33 68.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 0.0 110.732 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.88 -40.36 87.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.46 -60.35 2.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.762 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -56.09 -24.31 39.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.108 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -70.21 -65.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.932 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.624 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 6.3 ttp -47.16 -57.9 4.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.039 -178.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.478 HG23 ' N ' ' A' ' 126' ' ' LYS . 16.3 tt -53.02 -39.43 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.85 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.478 ' N ' HG23 ' A' ' 125' ' ' ILE . 1.5 tmmt? -65.54 -39.21 91.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.752 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -76.68 -58.4 3.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.23 -31.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.469 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 13.8 t0 -79.72 113.11 17.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.102 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.9 mt -74.45 -35.16 63.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.413 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.598 ' O ' ' O ' ' A' ' 132' ' ' GLY . 13.1 p-10 -94.97 0.57 54.78 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.785 -178.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.598 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 47.57 121.39 0.0 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.434 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 0.7 OUTLIER -168.46 -22.75 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 O-C-N 122.135 -0.626 . . . . 0.0 110.473 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.61 5.3 39.42 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.403 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 3.8 mt-30 -146.16 146.23 30.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.038 0.447 . . . . 0.0 110.221 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.3 t -112.89 128.22 69.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.927 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 49.9 t-20 -88.56 149.03 23.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.382 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 67.8 t80 -45.55 -40.89 9.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -59.57 -56.31 23.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.576 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -58.06 -40.57 81.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.041 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -58.92 -50.28 74.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.66 -46.81 90.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -58.4 -32.74 68.91 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.796 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.6 ttt -70.42 -40.31 73.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.902 0.382 . . . . 0.0 110.488 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.51 ' O ' ' O ' ' A' ' 146' ' ' MET . 10.2 mmt -62.35 -22.14 65.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.4 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.51 ' O ' ' O ' ' A' ' 145' ' ' MET . 91.8 mmm . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 121.241 0.543 . . . . 0.0 111.067 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -61.42 -45.71 93.15 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.419 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -61.05 -41.43 96.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.488 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.424 ' CD ' HD21 ' A' ' 116' ' ' LEU . 14.3 tpp180 -59.06 -40.99 86.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.169 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.624 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 2.2 m95 -59.07 -48.6 81.0 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.966 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -66.36 -33.87 76.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.787 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.0 m -59.61 -46.11 89.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 92.2 p -61.37 -44.07 97.79 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.292 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 99.8 t -67.77 -40.3 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 56.3 m -61.42 -41.99 98.03 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.749 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.09 -41.93 93.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -58.56 -42.55 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -58.4 -47.48 83.75 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.014 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' B' ' 32' ' ' ASN . 54.0 t-20 -71.96 -20.83 61.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.621 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.49 HH22 ' HB2' ' A' ' 14' ' ' GLU . 3.2 tpm_? -78.88 -58.75 3.08 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.462 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 33.06 51.55 0.28 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.567 0.542 . . . . 0.0 111.0 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -55.03 -8.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.07 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' B' ' 34' ' ' ALA . 96.0 mtt180 -115.43 -6.73 12.3 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.635 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.46 ' O ' ' CB ' ' B' ' 41' ' ' SER . 1.1 m-85 63.86 73.81 0.43 Allowed 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 121.042 0.449 . . . . 0.0 110.171 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.547 ' NE ' ' OE1' ' A' ' 87' ' ' GLU . 44.1 mtp180 -54.91 -42.71 72.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.036 0.446 . . . . 0.0 110.696 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 35.0 mmt -64.36 -61.73 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.335 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 93.0 mt -62.57 -43.44 98.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.69 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 80.9 p -54.37 -43.58 71.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -65.62 -41.46 92.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 62.6 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.392 -179.673 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.859 0.361 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.4 mt-10 -44.26 -29.3 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.38 -44.2 88.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.09 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -54.29 -53.43 53.85 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.51 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.5 mp -58.31 -41.93 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 6' ' ' GLU . 41.0 t -60.82 -50.4 80.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.09 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -50.62 -53.29 31.96 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.49 ' CE2' HD21 ' A' ' 69' ' ' LEU . 59.0 m-85 -63.44 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.268 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -58.31 -46.49 86.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.077 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.45 -51.57 68.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.584 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.7 -45.73 74.03 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.933 0.397 . . . . 0.0 110.409 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 2.4 t80 -61.57 -44.61 96.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.818 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.42 -39.74 60.18 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.02 -43.4 98.83 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.735 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -64.39 -41.03 96.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 24' ' ' ASP . 36.6 t0 -94.2 75.08 4.0 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.361 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -58.45 -36.47 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.609 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.3 p30 -90.93 35.42 0.9 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.437 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.25 66.2 0.01 OUTLIER Glycine 0 CA--C 1.523 0.554 0 C-N-CA 121.372 -0.442 . . . . 0.0 112.712 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.526 ' H ' ' CG ' ' A' ' 20' ' ' ASP . 62.6 m-20 -92.92 -26.87 17.4 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.83 -26.95 8.57 Favored Glycine 0 N--CA 1.464 0.558 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -130.2 176.61 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.984 0.421 . . . . 0.0 110.198 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.7 mt -114.79 117.58 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.99 179.63 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.577 HG21 HE22 ' A' ' 49' ' ' GLN . 45.0 t -77.15 -49.13 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.399 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.04 -46.27 90.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.171 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.33 -45.68 84.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.397 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.559 HD22 HD11 ' A' ' 52' ' ' ILE . 6.0 tp -59.86 -41.23 91.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.088 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.86 97.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.299 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -58.33 -51.44 69.77 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.308 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -59.43 -46.64 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.7 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.61 -42.86 93.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.573 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -54.43 -38.36 66.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 0.0 110.396 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 p -96.57 23.61 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -128.3 -5.56 5.42 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.992 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER 177.24 -71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.696 -179.103 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.45 ' HG2' ' H ' ' A' ' 42' ' ' ASN . 6.3 tt0 -158.7 -174.24 4.68 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.319 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.45 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 37.1 t-20 -113.61 90.06 17.09 Favored Pre-proline 0 C--O 1.231 0.113 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.78 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.15 161.06 32.74 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.999 2.466 . . . . 0.0 112.13 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 47' ' ' GLU . 10.2 t -58.28 133.95 56.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.604 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -53.37 -31.41 44.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.628 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -51.93 -44.71 64.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.498 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.526 ' H ' HG23 ' A' ' 44' ' ' THR . 81.1 tt0 -64.66 -32.86 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.301 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.3 mt -75.49 -43.43 49.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.47 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.577 HE22 HG21 ' A' ' 29' ' ' VAL . 45.4 mm-40 -59.13 -38.35 79.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.248 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -72.4 -49.31 34.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 80.6 mtp -60.04 -43.6 95.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.312 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 32' ' ' LEU . 24.1 mm -64.66 -46.11 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.502 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.3 t -72.75 -14.13 61.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.232 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -62.71 -46.86 86.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.119 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.623 HG21 HD13 ' A' ' 71' ' ' LEU . 42.4 t -94.2 -32.6 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.277 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.508 ' OD1' ' OD1' ' A' ' 60' ' ' ASN . 7.2 t70 -48.0 102.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.56 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.92 6.71 30.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' ' N ' ' A' ' 60' ' ' ASN . 47.0 p-10 -129.77 13.32 5.85 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.953 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.38 34.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.582 ' N ' ' O ' ' A' ' 58' ' ' ASP . 24.5 p-10 -74.92 -29.92 61.1 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.379 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.53 -3.28 36.87 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.532 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 20.8 p -139.75 155.57 47.25 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.102 0.477 . . . . 0.0 110.691 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.551 HD11 HD13 ' A' ' 52' ' ' ILE . 67.7 mt -102.11 125.84 56.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 121.077 0.465 . . . . 0.0 110.168 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.511 ' HG3' ' H ' ' A' ' 67' ' ' GLU . 16.6 pt-20 -88.75 173.21 8.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.398 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.7 -41.81 91.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.31 -41.5 89.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.744 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.511 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 98.5 mt-10 -72.77 -45.6 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.472 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -59.13 -44.88 92.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.911 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.3 tt -61.17 -55.9 26.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.419 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.9 t -63.43 -44.73 93.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.623 HD13 HG21 ' A' ' 55' ' ' VAL . 23.7 tp -47.04 -57.32 5.16 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.473 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mmm -73.32 -54.08 9.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.224 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.38 -30.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.795 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -79.09 -55.62 4.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.068 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.436 ' O ' HG23 ' A' ' 76' ' ' VAL . 70.8 mmtt -74.9 91.96 2.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.072 0.463 . . . . 0.0 110.571 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.724 HG12 ' O ' ' A' ' 76' ' ' VAL . 55.2 t -154.29 69.14 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.468 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -109.4 -90.05 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 0.0 110.517 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 80' ' ' ASP . 51.7 t0 -147.28 -30.25 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.606 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 5.3 p 62.24 -64.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.823 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 78' ' ' ASP . 31.8 t70 -165.52 148.58 7.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.548 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.67 -55.74 9.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.242 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -55.46 -24.45 31.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -76.44 -58.13 3.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.052 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.538 ' OE2' ' NH1' ' B' ' 38' ' ' ARG . 77.0 mm-40 -69.42 -35.04 75.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.874 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 85' ' ' LEU . 88.5 mt -66.46 -37.23 84.68 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.382 0.611 . . . . 0.0 111.467 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -84.61 -46.99 10.99 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.53 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.577 ' O ' HG23 ' A' ' 91' ' ' VAL . 71.0 mm-40 -58.45 -42.74 88.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.078 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.97 -57.38 10.91 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.162 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.26 -39.08 72.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.499 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -60.55 -38.72 85.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.542 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 87' ' ' GLU . 99.0 t -75.42 -52.72 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.945 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -56.39 -47.12 79.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.173 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.549 ' O ' ' N ' ' A' ' 96' ' ' GLN . 37.6 t0 -85.89 59.52 5.68 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -38.95 -59.26 0.99 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.573 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -64.09 -8.44 11.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.456 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.549 ' N ' ' O ' ' A' ' 93' ' ' ASP . 82.6 mt-30 43.11 58.68 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.245 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -98.06 -1.06 43.36 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.786 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.502 ' O ' ' ND2' ' A' ' 137' ' ' ASN . . . 98.07 -0.42 58.9 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 34.6 m-85 -144.9 150.47 37.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.022 0.439 . . . . 0.0 110.541 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.16 115.74 37.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.218 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 p -86.99 149.32 24.85 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.166 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -44.42 68.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.973 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.4 m -60.42 -44.44 95.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -61.22 -55.0 37.1 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.658 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 41.4 tp -61.27 -21.85 64.3 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.48 ' O ' HG22 ' A' ' 110' ' ' ILE . 62.4 ttp180 -83.39 -43.04 16.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.222 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -54.34 -52.69 60.76 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.845 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 109' ' ' MET . 8.2 t -62.04 -64.95 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.406 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.7 tpt -31.18 -76.44 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.322 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 111' ' ' ASN . 21.0 tt -48.15 -48.17 12.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.636 ' N ' HG23 ' A' ' 110' ' ' ILE . 25.6 t-20 -63.12 -9.8 12.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.323 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.502 HD11 HH11 ' B' ' 33' ' ' ARG . 1.1 mp -100.1 11.74 38.62 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.602 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.82 -70.95 0.23 Allowed Glycine 0 CA--C 1.521 0.452 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -52.38 115.07 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.078 0.466 . . . . 0.0 110.223 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -100.02 115.03 28.78 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.331 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.4 mt -115.1 134.57 55.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.77 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.8 p -63.9 172.62 2.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 118' ' ' ASP . 65.9 t0 -66.59 -32.18 73.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.407 ' H ' ' HG2' ' A' ' 119' ' ' GLU . 10.1 pt-20 -69.09 -43.31 74.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.66 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.482 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 50.4 tp10 -65.08 -44.39 89.07 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.708 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.64 -44.86 98.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.15 -19.93 65.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.045 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -77.53 -63.77 1.3 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.096 0.474 . . . . 0.0 111.98 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 125' ' ' ILE . 4.9 ppp? -53.76 -42.63 68.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.593 ' N ' ' SD ' ' A' ' 124' ' ' MET . 11.0 tp -63.18 -42.2 95.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.507 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.489 ' N ' HG23 ' A' ' 125' ' ' ILE . 3.0 tppp? -64.43 -36.16 83.26 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.018 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -77.27 -53.03 8.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.576 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.574 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -48.28 -42.07 29.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.129 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 67.6 t0 -78.78 115.3 18.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 109.741 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.73 -41.26 96.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.064 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.452 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -86.15 -1.5 57.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.729 -179.081 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 48.03 39.07 18.51 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 78.8 m-20 -71.61 -15.21 62.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.984 0.421 . . . . 0.0 110.335 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.02 -1.87 56.56 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -145.13 149.95 35.92 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.904 0.383 . . . . 0.0 110.309 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.9 t -108.15 123.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.849 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 98' ' ' GLY . 18.4 t-20 -89.38 159.25 17.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.429 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -49.86 -41.58 45.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.233 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.94 -52.06 65.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.452 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 94.1 mt-10 -61.42 -37.52 83.79 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -61.44 -49.0 78.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.136 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 146' ' ' MET . 41.8 t -57.55 -46.41 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.816 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -68.0 -30.15 69.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.042 0.449 . . . . 0.0 111.189 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.521 ' SD ' ' O ' ' A' ' 144' ' ' MET . 4.3 tpt -75.6 -40.55 56.29 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.613 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.467 ' O ' ' C ' ' A' ' 146' ' ' MET . 92.4 mmm -96.03 -28.91 14.41 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.523 ' N ' ' O ' ' A' ' 142' ' ' VAL . 94.8 mtp . . . . . 0 C--O 1.22 -0.493 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.186 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -60.52 -31.29 70.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -60.94 -49.7 76.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.353 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.482 ' NH1' ' OE2' ' A' ' 120' ' ' GLU . 16.9 mmt85 -63.74 -45.04 91.69 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.207 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.574 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 1.7 m95 -63.23 -45.26 92.44 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -67.72 -40.27 84.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.849 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.5 t -58.48 -44.02 89.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.936 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.494 ' O ' HG23 ' B' ' 30' ' ' VAL . 50.3 p -61.16 -44.05 97.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.161 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 59.4 t -67.5 -42.92 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.535 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 59.8 m -59.52 -44.85 93.05 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.393 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.69 -41.7 91.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 26' ' ' SER . 55.9 t -60.35 -42.16 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.413 ' HD2' HH11 ' B' ' 38' ' ' ARG . 19.6 tptm -59.28 -47.66 84.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.042 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -67.44 -34.98 78.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.015 0.436 . . . . 0.0 110.085 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.502 HH11 HD11 ' A' ' 112' ' ' LEU . 49.3 ttp180 -65.94 -55.42 16.93 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.415 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 28.54 92.36 0.01 OUTLIER 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.42 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -90.18 -5.9 55.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.024 0.44 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.503 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 76.9 mmt-85 -108.44 1.22 21.51 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.44 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.503 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.4 OUTLIER 63.3 47.2 4.11 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.456 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.538 ' NH1' ' OE2' ' A' ' 84' ' ' GLU . 13.6 ptp180 -40.24 -30.61 0.1 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.689 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . 0.48 ' SD ' ' C ' ' B' ' 39' ' ' MET . 1.1 tmt? -68.87 -65.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.699 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.03 -43.37 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.368 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.6 p -55.95 -42.72 76.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.227 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' B' ' 42' ' ' ASN . 48.5 t-20 -64.05 -41.7 97.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.358 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.632 179.808 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 7' ' ' GLU . 24.8 p . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 120.769 0.319 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 10' ' ' VAL . 97.4 mt-10 -48.66 -8.75 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.118 179.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 5' ' ' SER . 75.2 mt-10 -64.3 -52.79 56.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.262 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -52.88 -50.04 64.67 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.19 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.91 -43.63 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.024 0.44 . . . . 0.0 110.587 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 6' ' ' GLU . 14.0 t -59.25 -47.55 89.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.643 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -58.94 -50.15 75.15 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.292 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -61.84 -44.39 96.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.902 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -62.45 -38.74 90.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.394 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -66.12 -51.07 61.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.404 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.0 85.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.267 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 34.0 t80 -60.36 -49.63 76.83 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.191 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.78 -30.73 66.44 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.21 -50.41 68.17 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.167 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CE1' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -58.54 -30.92 67.48 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.312 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -96.42 84.87 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.929 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -62.2 -40.42 96.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.019 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' GLY . 54.3 p-10 -91.67 34.22 0.99 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.054 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.97 62.19 0.01 OUTLIER Glycine 0 N--CA 1.474 1.206 0 O-C-N 123.848 0.718 . . . . 0.0 112.421 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 10.9 p-10 -87.28 -22.49 25.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.4 . . . . 0.0 110.791 -178.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 112.24 -20.69 20.99 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.2 m -143.15 136.01 27.77 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.0 mt -76.78 124.05 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.8 -172.76 4.15 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.711 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.1 t -80.46 -49.01 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.535 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.78 -49.43 76.37 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.622 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -55.11 -45.29 75.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.093 0.473 . . . . 0.0 110.154 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.588 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.8 tp -60.31 -39.55 87.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.048 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.28 -45.85 92.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.811 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 m -58.21 -48.74 79.43 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.573 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.02 -46.58 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.933 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.494 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 80.9 mt -62.96 -47.19 93.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.614 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -43.85 -54.95 4.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.092 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.4 p -64.42 -36.88 85.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.432 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.8 OUTLIER -75.98 -2.52 30.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.349 -179.065 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.512 ' CG ' ' N ' ' A' ' 41' ' ' GLN . 45.8 p-10 -157.83 -128.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.952 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.512 ' N ' ' CG ' ' A' ' 40' ' ' ASP . 87.0 mt-30 -122.68 -77.94 0.6 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.824 0.345 . . . . 0.0 110.648 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -154.48 106.07 2.38 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.686 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -77.68 -170.1 0.88 Allowed 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.193 1.928 . . . . 0.0 111.717 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 46' ' ' GLU . 29.7 m -120.86 151.88 39.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.294 0.568 . . . . 0.0 110.367 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.34 -40.82 77.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.2 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.448 ' H ' HG22 ' A' ' 44' ' ' THR . 79.8 mm-40 -61.2 -59.75 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.303 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.61 -32.53 65.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.0 0.429 . . . . 0.0 110.475 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 48' ' ' LEU . 39.5 mt -73.55 -53.25 10.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.994 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.8 -24.7 67.63 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.123 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 97.9 m-20 -68.66 -58.52 4.13 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.753 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.7 ttp -61.91 -39.06 90.71 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.173 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.688 HD13 HD11 ' A' ' 63' ' ' ILE . 6.2 mm -67.77 -23.47 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.543 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -87.97 -27.05 22.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.968 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -77.22 -7.81 56.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.358 . . . . 0.0 110.636 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.466 HG21 HD13 ' A' ' 71' ' ' LEU . 21.7 t -118.34 -33.75 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.515 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 52' ' ' ILE . 1.3 m-20 -67.86 106.68 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.158 0.504 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.13 6.5 32.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.762 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 59' ' ' GLY . 52.0 p30 -128.65 16.0 6.45 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.715 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.39 39.82 0.03 OUTLIER Glycine 0 N--CA 1.47 0.949 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 46.7 p-10 -82.39 -30.27 30.34 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.959 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 101.73 -0.19 52.47 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 p -135.93 157.5 46.69 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 122.659 -0.318 . . . . 0.0 110.192 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.688 HD11 HD13 ' A' ' 52' ' ' ILE . 73.0 mt -103.12 130.41 53.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.272 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.537 ' OE2' ' ND2' ' A' ' 60' ' ' ASN . 30.8 mp0 -96.04 163.74 13.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.328 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -51.05 -45.06 61.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.468 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -61.1 -39.31 89.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.425 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -72.48 -44.76 61.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -61.3 -45.46 94.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.504 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.2 tt -60.99 -51.79 67.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.012 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.3 t -64.34 -41.85 96.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.636 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.466 HD13 HG21 ' A' ' 55' ' ' VAL . 32.7 tp -50.43 -46.43 56.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.648 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.5 mmt -84.43 -61.58 1.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.964 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.8 -43.35 2.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.7 -63.63 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.723 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -121.7 105.4 10.37 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 77' ' ' LYS . 57.6 t -93.88 -102.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.812 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.616 ' NZ ' ' NH2' ' B' ' 38' ' ' ARG . 26.7 ttpp -173.61 83.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.277 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -133.95 18.41 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 1.6 t -106.67 33.14 4.06 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.465 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 79' ' ' THR . 64.9 m-20 -160.12 105.1 1.52 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.991 0.424 . . . . 0.0 110.531 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.96 -54.22 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.783 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -52.7 -19.26 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.129 0.49 . . . . 0.0 110.7 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.462 ' HG3' ' HZ3' ' A' ' 77' ' ' LYS . 46.3 tp10 -83.63 -57.14 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.053 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.96 -37.38 84.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.142 0.496 . . . . 0.0 110.298 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.23 -42.79 83.45 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.157 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -82.05 -43.42 17.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.026 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.527 ' OE2' ' NE ' ' B' ' 38' ' ' ARG . 74.1 tt0 -61.95 -37.33 84.34 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.82 -56.04 18.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.813 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -51.97 -41.69 62.33 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.646 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -61.43 -35.66 78.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 87' ' ' GLU . 75.4 t -76.92 -51.12 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.461 . . . . 0.0 110.817 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -63.49 -48.33 78.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.668 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.4 t0 -92.09 72.6 5.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.397 . . . . 0.0 109.978 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -44.29 -53.61 6.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.312 -178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 20.4 p-10 -74.99 -3.05 30.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.947 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.509 ' C ' ' H ' ' A' ' 98' ' ' GLY . 78.5 mt-30 39.23 28.81 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.918 0.389 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' ASP . 38.2 p-10 -58.07 -2.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.615 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 101.82 -7.6 55.45 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 35.9 m-85 -140.06 146.86 39.49 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.9 mt -91.71 115.53 30.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -82.91 146.93 28.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.178 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.0 -45.21 75.05 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.483 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.1 m -59.64 -42.68 93.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.954 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.84 -53.9 43.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.134 0.493 . . . . 0.0 110.126 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -61.45 -25.34 67.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.02 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -78.23 -51.39 10.26 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.886 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -47.85 -52.3 19.6 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.538 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.553 ' O ' ' N ' ' A' ' 111' ' ' ASN . 43.4 t -60.16 -63.06 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.16 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.474 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -29.6 -70.91 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.396 0.435 . . . . 0.0 110.556 -178.249 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 111' ' ' ASN . 14.6 tt -54.92 -36.17 36.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.75 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 108' ' ' VAL . 5.0 t-20 -50.98 -12.76 0.12 Allowed 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.573 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.598 HD12 HG22 ' B' ' 29' ' ' ILE . 4.1 mm? -89.91 -111.42 0.08 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.22 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.37 32.75 1.84 Allowed Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.47 ' O ' HD12 ' A' ' 116' ' ' LEU . 93.5 mt-10 -139.49 114.39 9.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.623 0.249 . . . . 0.0 110.382 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -87.65 111.65 21.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.179 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 114' ' ' GLU . 2.1 mp -119.01 130.96 55.94 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.96 0.41 . . . . 0.0 110.625 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 121' ' ' VAL . 51.5 p -73.37 177.28 5.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.24 -26.7 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.436 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.03 -54.14 16.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.738 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -57.67 -39.42 77.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.208 0.528 . . . . 0.0 110.066 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 117' ' ' THR . 93.2 t -66.89 -43.9 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.149 0.499 . . . . 0.0 110.027 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.48 -22.14 66.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.294 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -75.77 -60.67 2.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.359 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.528 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 15.1 ptm -53.49 -45.93 69.83 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.844 -178.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.528 ' N ' ' CG ' ' A' ' 124' ' ' MET . 19.3 tt -62.76 -38.98 83.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.694 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -65.12 -40.15 94.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.634 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -79.5 -54.67 5.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.702 0.287 . . . . 0.0 110.779 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.77 -42.84 65.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.168 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.5 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 35.9 t0 -89.66 113.21 24.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.134 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 41.0 mt -62.65 -51.07 68.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.372 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 21.6 p-10 -82.21 -12.22 58.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.805 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.649 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 61.39 -91.08 0.06 OUTLIER Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.425 -0.893 . . . . 0.0 111.274 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 132' ' ' GLY . 0.4 OUTLIER 58.07 -11.3 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 121.289 -0.164 . . . . 0.0 111.113 -179.14 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.649 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 92.99 9.88 60.4 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.432 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -150.57 160.46 43.78 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 122.527 -0.396 . . . . 0.0 110.695 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.2 t -127.71 126.71 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 138' ' ' TYR . 4.1 t-20 -86.3 155.06 20.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.496 ' H ' ' ND2' ' A' ' 137' ' ' ASN . 61.8 t80 -52.08 -42.58 63.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.384 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.87 -45.54 92.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.559 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.441 ' OE1' ' OD1' ' A' ' 131' ' ' ASP . 40.9 mt-10 -65.56 -39.1 91.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.114 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -60.94 -46.76 89.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.62 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.41 -46.14 95.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.356 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -60.64 -33.95 73.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.442 ' SD ' ' O ' ' A' ' 144' ' ' MET . 2.8 tmm? -79.42 -35.81 39.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.882 0.372 . . . . 0.0 110.354 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.402 ' O ' ' SD ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -61.09 -31.92 71.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.686 -179.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.862 179.564 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.706 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -60.43 -38.01 82.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.316 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -67.07 -39.48 86.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -62.23 -39.8 94.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.163 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -66.8 -51.63 53.41 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.138 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -65.82 -34.7 78.75 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.011 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 64.8 m -60.69 -46.47 90.24 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.675 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.454 ' O ' HG23 ' B' ' 30' ' ' VAL . 63.6 p -62.66 -44.81 95.32 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.521 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.67 -41.46 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.498 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.9 t -63.03 -43.88 97.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.598 HG22 HD12 ' A' ' 112' ' ' LEU . 63.9 mt -62.68 -41.01 90.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 26' ' ' SER . 26.3 t -57.19 -44.16 83.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.799 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.61 -43.41 98.87 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.641 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -68.51 -40.9 80.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.648 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.496 ' NH1' ' NH2' ' B' ' 35' ' ' ARG . 56.4 ttp180 -69.97 -45.26 67.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.906 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 36.86 53.08 1.09 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.86 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.496 ' NH2' ' NH1' ' B' ' 33' ' ' ARG . 37.4 ttm180 -57.1 -8.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.0 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.475 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 55.3 ttp180 -111.33 -3.57 15.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.091 0.472 . . . . 0.0 110.182 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.475 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.1 m-85 65.46 47.99 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.359 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.616 ' NH2' ' NZ ' ' A' ' 77' ' ' LYS . 72.9 mtp180 -40.08 -30.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.393 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . 0.442 ' SD ' ' C ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -74.3 -70.06 0.42 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.849 -179.366 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.9 -24.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.304 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.0 p -76.69 -37.4 56.22 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.543 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 77.3 m-20 -104.07 12.23 34.29 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.557 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.666 HD22 ' C ' ' B' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.605 0 CA-C-O 117.856 -1.069 . . . . 0.0 112.269 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 C--O 1.219 -0.524 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -55.92 -20.35 15.61 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.032 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -61.14 -56.95 14.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.479 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.493 ' C ' HE21 ' A' ' 8' ' ' GLN . 0.0 OUTLIER -47.59 -39.74 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.963 -179.708 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -66.63 -43.4 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.08 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.29 -47.98 88.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.832 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -54.34 -62.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.973 0.416 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -58.26 -41.67 84.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.423 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -63.23 -32.47 73.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.635 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -65.78 -49.21 69.14 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.192 0.52 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.03 85.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.219 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -60.42 -49.84 75.96 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.968 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.55 -30.08 61.7 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.85 -48.21 72.35 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.469 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CE1' HG11 ' A' ' 35' ' ' VAL . 31.8 m-85 -62.82 -35.19 79.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 37.0 t0 -89.64 76.65 7.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.193 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -66.07 -23.77 66.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.428 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 24' ' ' ASP . 45.5 p30 -109.97 31.46 5.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.035 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 23.39 46.13 0.01 OUTLIER Glycine 0 N--CA 1.474 1.224 0 O-C-N 123.796 0.685 . . . . 0.0 111.98 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 11.3 p-10 -74.91 -27.63 60.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.843 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.499 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 110.59 -10.76 30.41 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.523 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.471 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 16.8 m -148.72 169.61 20.04 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 122.508 -0.407 . . . . 0.0 110.315 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.1 mt -111.01 115.78 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 0.0 109.995 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 m -81.85 153.03 26.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.5 t -53.16 -47.1 56.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.668 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -63.25 -50.6 69.57 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.458 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 19' ' ' PHE . 59.2 tt0 -54.21 -42.77 70.15 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.141 0.496 . . . . 0.0 109.728 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 tp -63.01 -36.17 82.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.029 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.82 -46.13 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.384 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.17 -45.82 86.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.964 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.591 HG11 ' CE1' ' A' ' 19' ' ' PHE . 96.1 t -63.91 -45.81 95.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.469 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.09 -43.59 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.586 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -56.62 -44.6 81.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.416 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.595 ' C ' ' H ' ' A' ' 40' ' ' ASP . 94.3 p -55.57 -28.71 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.446 ' C ' ' H ' ' A' ' 41' ' ' GLN . 1.5 tp -65.83 16.54 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.607 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.595 ' H ' ' C ' ' A' ' 38' ' ' SER . 3.0 t70 75.3 -37.3 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.402 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.446 ' H ' ' C ' ' A' ' 39' ' ' LEU . 95.4 mm-40 -77.9 158.13 29.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.008 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -147.26 69.84 11.71 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.83 0.348 . . . . 0.0 110.298 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.49 -152.96 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.879 2.386 . . . . 0.0 111.576 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 47' ' ' GLU . 5.6 t -119.86 148.15 43.83 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.864 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -57.53 -22.65 45.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.38 -43.67 98.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.331 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' H ' HG23 ' A' ' 44' ' ' THR . 97.0 mt-10 -66.8 -29.02 68.85 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.044 0.45 . . . . 0.0 110.851 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 48' ' ' LEU . 8.3 mp -77.64 -47.38 19.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.895 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 53' ' ' SER . 40.7 mm-40 -66.79 -28.59 68.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.179 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.54 -54.16 26.81 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.076 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtm -65.62 -37.97 88.1 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.768 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.402 HG22 ' OD2' ' A' ' 56' ' ' ASP . 20.0 mt -75.45 -31.38 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.013 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 7.1 p -64.81 -49.22 71.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.155 0.502 . . . . 0.0 110.891 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -64.65 -41.69 95.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.764 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.8 t -78.34 -20.92 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.024 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' OD2' HG22 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -55.82 98.77 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.045 0.45 . . . . 0.0 110.421 -179.399 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.57 -17.7 35.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.528 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.7 p30 -128.24 22.94 6.05 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.971 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 28.45 39.3 0.01 OUTLIER Glycine 0 N--CA 1.472 1.036 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 47.2 p30 -79.6 -25.91 41.37 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.703 0.287 . . . . 0.0 110.894 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.532 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 97.35 -6.6 63.49 Favored Glycine 0 N--CA 1.463 0.463 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.0 p -126.29 167.02 16.05 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.3 mt -106.8 132.44 54.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.274 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.494 ' OE1' ' ND2' ' A' ' 60' ' ' ASN . 1.6 mp0 -101.37 155.69 17.9 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.344 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -42.76 -48.6 5.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.639 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -61.6 -34.6 75.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.184 0.516 . . . . 0.0 110.564 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 64' ' ' GLU . 96.5 mt-10 -75.04 -45.61 40.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.847 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -62.87 -35.93 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.716 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -62.79 -61.9 2.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.454 -179.446 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.3 t -62.03 -37.65 85.75 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.284 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.696 ' C ' HD23 ' A' ' 71' ' ' LEU . 6.6 tt -57.03 -45.41 83.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.634 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.7 tpt -86.52 -48.28 8.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.954 0.406 . . . . 0.0 111.037 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.02 -20.27 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.452 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 75' ' ' LYS . 13.2 tptt -59.02 -63.61 1.24 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.741 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.542 ' O ' ' C ' ' A' ' 76' ' ' VAL . 63.6 tttp -44.01 -90.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.698 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.542 ' C ' ' O ' ' A' ' 75' ' ' LYS . 4.1 t -4.99 108.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 O-C-N 124.706 1.254 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 44.3 tttp 78.53 99.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.381 0.425 . . . . 0.0 110.33 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 0.8 OUTLIER 165.99 -14.78 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 p -84.55 155.65 22.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.383 . . . . 0.0 110.836 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.55 170.22 5.28 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.4 0.619 . . . . 0.0 110.458 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.55 -52.58 24.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.351 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.4 mp0 -57.97 -19.41 30.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.637 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -78.03 -57.49 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.712 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -69.92 -35.55 74.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.102 0.477 . . . . 0.0 110.784 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.48 -38.85 85.01 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.338 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -82.13 -44.55 16.33 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.332 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 91' ' ' VAL . 64.8 mm-40 -60.89 -38.13 84.61 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.171 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.54 -57.34 8.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.903 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.41 ' CE1' ' OD2' ' A' ' 93' ' ' ASP . 57.0 t80 -53.72 -38.19 64.06 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.053 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -59.4 -35.72 74.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.034 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 87' ' ' GLU . 79.8 t -73.44 -53.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.857 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -62.3 -47.73 83.02 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.183 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.3 t0 -80.47 62.39 4.55 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.098 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' C ' ' H ' ' A' ' 96' ' ' GLN . 36.9 ttmt -43.96 -56.51 3.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.062 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.468 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -66.04 0.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.641 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' ASP . 17.2 pt20 34.42 42.75 0.07 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.515 0.509 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -89.89 1.99 55.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.752 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.91 -7.58 80.98 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -130.84 135.68 47.95 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.6 mt -94.69 116.51 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.898 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 m -87.8 152.19 22.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.563 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.99 -45.47 64.51 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.632 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.0 m -57.26 -37.9 73.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.556 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 64.3 mt-10 -66.36 -54.84 19.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.224 0.535 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.405 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 52.7 tp -63.67 -27.87 69.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.198 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.425 ' O ' HG22 ' A' ' 110' ' ' ILE . 77.8 ttt180 -74.85 -46.61 35.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.056 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -55.19 -49.49 71.78 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.501 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 109' ' ' MET . 48.8 t -61.71 -62.68 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.054 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.6 OUTLIER -32.71 -76.5 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.857 0.36 . . . . 0.0 111.199 -179.211 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.625 HG23 ' N ' ' A' ' 111' ' ' ASN . 19.7 tt -49.84 -46.7 22.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.988 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.625 ' N ' HG23 ' A' ' 110' ' ' ILE . 37.9 t30 -48.63 -10.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.532 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 110' ' ' ILE . 45.2 mt -103.42 -154.99 0.51 Allowed 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.616 ' N ' ' NH2' ' B' ' 33' ' ' ARG . . . -89.54 -16.34 57.05 Favored Glycine 0 CA--C 1.519 0.297 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -88.68 102.33 14.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.859 0.361 . . . . 0.0 110.114 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -90.69 110.25 21.42 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.5 mt -109.59 154.96 22.04 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.04 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 121' ' ' VAL . 53.1 p -91.5 176.98 6.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -65.12 -38.0 89.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.887 0.375 . . . . 0.0 110.928 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -68.01 -45.42 74.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.519 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 50.2 tp10 -64.26 -39.42 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.451 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 117' ' ' THR . 42.3 t -60.96 -46.72 96.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.221 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.91 -39.35 85.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.255 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -57.62 -62.26 1.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.405 ' CE ' ' CD1' ' B' ' 23' ' ' TRP . 26.5 ttt -48.48 -46.69 38.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.846 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.1 mm -56.82 -37.8 55.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.651 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -78.71 -23.84 45.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.046 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -84.01 -58.14 2.9 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.497 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.719 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -58.98 -42.56 90.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.496 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.547 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 46.8 t0 -81.44 115.72 20.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.152 0.501 . . . . 0.0 110.38 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 1.012 ' H ' HD22 ' A' ' 130' ' ' LEU . 0.5 OUTLIER -67.05 -52.65 39.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.342 -178.596 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 11.5 p-10 -86.0 -8.83 57.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.531 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.733 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 63.35 -81.83 0.04 OUTLIER Glycine 0 C--O 1.228 -0.233 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.19 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.44 ' CG ' ' C ' ' A' ' 132' ' ' GLY . 0.1 OUTLIER 52.8 -12.21 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 122.261 0.224 . . . . 0.0 110.93 -179.406 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.733 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 96.13 4.51 59.88 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.498 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 14.1 pt20 -151.32 161.16 43.21 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 122.516 -0.402 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.2 t -123.93 127.62 73.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-O 120.871 0.367 . . . . 0.0 111.374 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -88.78 163.75 15.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.352 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.53 -38.68 78.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.458 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.89 -51.14 71.3 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.131 0.491 . . . . 0.0 110.716 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.448 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 88.7 mt-10 -60.21 -37.45 80.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.142 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.37 -47.66 84.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.5 -58.29 5.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.835 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -60.22 -30.51 69.45 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.977 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 144' ' ' MET . 0.7 OUTLIER -72.29 -23.66 61.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.224 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.7 mmm -92.19 -19.36 22.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.471 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 55.5 mmm . . . . . 0 N--CA 1.464 0.268 0 O-C-N 123.63 0.581 . . . . 0.0 110.921 -179.441 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -59.49 -33.76 71.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -68.42 -39.08 81.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.613 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.519 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 83.6 mtt85 -61.83 -42.01 98.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.467 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.719 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.8 m95 -64.51 -51.04 64.96 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.172 0.51 . . . . 0.0 110.3 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -65.37 -37.83 88.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.768 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 73.0 m -60.87 -42.21 97.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.004 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.447 ' O ' HG23 ' B' ' 30' ' ' VAL . 68.6 m -59.7 -44.41 93.69 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.27 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -68.09 -44.83 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.887 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m -68.87 -40.72 79.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.403 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' B' ' 33' ' ' ARG . 61.3 mt -62.86 -42.71 97.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 26' ' ' SER . 29.5 t -60.91 -46.73 95.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.154 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -66.95 -45.97 76.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.758 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -67.37 -38.94 85.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.671 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.616 ' NH2' ' N ' ' A' ' 113' ' ' GLY . 57.8 ttm-85 -64.55 -44.08 91.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.617 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 38.49 -86.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.45 0.468 . . . . 0.0 110.258 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.615 ' NH2' ' NH1' ' B' ' 33' ' ' ARG . 36.7 ttm180 65.53 -32.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.496 0.497 . . . . 0.0 110.364 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.617 ' H ' ' C ' ' B' ' 34' ' ' ALA . 61.3 ttt180 -86.84 -6.82 58.68 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.507 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.5 OUTLIER 64.68 43.36 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.374 179.273 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' B' ' 37' ' ' PHE . 50.4 mtm180 -35.83 -34.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.099 0.476 . . . . 0.0 110.953 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . 0.439 ' N ' ' O ' ' B' ' 37' ' ' PHE . 9.6 tpt -69.02 -69.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.787 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.33 -43.05 98.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.653 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.7 t -54.61 -45.26 73.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.107 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -64.14 -41.59 97.14 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.398 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.534 ' N ' HD22 ' B' ' 43' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.862 -1.066 . . . . 0.0 110.421 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.881 0.372 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 10' ' ' VAL . 48.5 mt-10 -52.0 -29.2 19.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.32 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -57.72 -57.19 13.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -50.46 -47.3 56.97 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.03 -43.7 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.604 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 6' ' ' GLU . 19.7 t -56.76 -47.39 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -57.33 -49.75 75.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -57.78 -42.69 84.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.062 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -60.05 -39.97 87.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.22 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -59.36 -51.85 68.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.156 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -40.48 70.05 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.245 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -61.56 -47.01 87.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.87 -38.49 64.99 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.75 -46.37 82.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.748 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.401 ' CE1' HG11 ' A' ' 35' ' ' VAL . 2.8 m-85 -67.06 -42.09 85.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.719 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.1 t0 -95.99 76.84 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.07 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.46 -30.38 64.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.129 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -102.1 32.69 3.37 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.59 64.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 O-C-N 123.486 0.491 . . . . 0.0 112.205 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . 50.1 m-20 -89.18 -25.06 22.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.16 9.43 22.15 Favored Glycine 0 N--CA 1.466 0.694 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.3 p -171.48 125.17 0.6 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.966 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mt -74.58 128.06 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 29' ' ' VAL . 32.3 m -96.54 154.5 17.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.099 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.478 HG21 ' NE2' ' A' ' 49' ' ' GLN . 43.6 t -47.33 -45.24 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.002 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.54 -54.14 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.332 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -50.84 -42.56 58.66 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -41.0 97.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.586 179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.02 -47.9 79.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.108 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 m -59.17 -55.0 40.59 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.61 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.401 HG11 ' CE1' ' A' ' 19' ' ' PHE . 87.5 t -60.73 -46.04 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.681 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 63.4 mt -59.75 -41.61 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.156 0.503 . . . . 0.0 109.826 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -63.79 -28.98 70.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.039 0.447 . . . . 0.0 109.903 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 t -86.47 23.83 1.53 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -112.47 8.78 19.5 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 3.1 t70 83.92 19.67 0.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.651 0.595 . . . . 0.0 110.825 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' B' ' 41' ' ' SER . 19.6 pt20 -150.71 160.49 43.81 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.343 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -143.49 75.23 16.72 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.27 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.43 165.16 31.23 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.953 2.435 . . . . 0.0 112.21 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.427 HG23 ' H ' ' A' ' 47' ' ' GLU . 8.8 t -74.61 149.29 40.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.538 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' LEU . 4.0 mt-10 -57.42 -42.06 81.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.275 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -42.17 -46.43 4.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.452 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' H ' HG23 ' A' ' 44' ' ' THR . 98.7 mt-10 -67.13 -28.79 68.43 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 45' ' ' GLU . 44.1 mt -78.24 -48.76 15.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.948 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.478 ' NE2' HG21 ' A' ' 29' ' ' VAL . 42.8 mm-40 -63.41 -29.41 70.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.274 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -70.62 -59.69 2.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.711 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -59.39 -41.32 89.1 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.773 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.6 mt -66.02 -28.33 43.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.229 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -87.64 -22.46 24.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.872 0.368 . . . . 0.0 110.388 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -70.98 -4.19 23.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.7 t -129.67 -39.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.727 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 67.4 t0 -46.74 105.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.39 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.35 5.06 32.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.573 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.561 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 1.7 p-10 -131.43 16.21 4.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.101 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.94 39.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.539 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 42.7 p-10 -82.62 -31.67 28.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.458 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 101.57 0.48 53.07 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.521 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 13.6 p -137.49 139.99 40.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.725 0.298 . . . . 0.0 110.304 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.2 mt -93.15 127.26 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.407 . . . . 0.0 110.48 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.43 161.06 16.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.415 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -46.59 -48.93 19.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.386 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -60.59 -38.38 84.44 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.375 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -73.69 -44.36 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.617 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -61.59 -44.18 97.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.216 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.6 tt -57.97 -59.6 5.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.325 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.1 p -60.3 -38.08 82.52 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.557 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 tt -55.27 -48.57 73.83 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.962 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -81.17 -47.1 13.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.285 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.21 -34.72 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.594 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -81.52 -58.71 2.9 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -75.87 106.37 7.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.356 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.772 HG12 ' H ' ' A' ' 77' ' ' LYS . 47.7 t -140.92 -123.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.772 ' H ' HG12 ' A' ' 76' ' ' VAL . 10.2 tttm -14.4 123.34 0.01 OUTLIER 'General case' 0 C--N 1.344 0.365 0 O-C-N 123.631 0.582 . . . . 0.0 110.951 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.476 ' C ' ' OG1' ' A' ' 79' ' ' THR . 39.0 t70 -99.08 -80.13 0.47 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.155 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.476 ' OG1' ' C ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 172.24 -166.82 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.268 -179.583 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 79' ' ' THR . 88.7 m-20 58.02 133.14 0.0 OUTLIER 'General case' 0 C--O 1.242 0.678 0 CA-C-O 121.83 0.824 . . . . 0.0 110.809 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.47 -50.94 14.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.24 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 57.6 mp0 -57.4 -15.65 7.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -84.21 -55.59 4.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -67.52 -38.81 84.8 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.156 0.503 . . . . 0.0 110.656 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.65 -30.35 68.02 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.707 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.6 -40.31 17.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.237 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.599 ' O ' HG23 ' A' ' 91' ' ' VAL . 77.7 mt-10 -57.09 -43.83 82.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.036 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.04 -58.17 6.1 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.488 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 68.1 t80 -53.69 -38.48 64.28 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.369 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -62.27 -38.3 88.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.728 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 87' ' ' GLU . 99.5 t -75.43 -52.16 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -62.13 -48.59 79.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.405 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 96' ' ' GLN . 10.0 t0 -88.28 62.37 6.66 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -39.89 -57.8 1.52 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.816 0.341 . . . . 0.0 111.516 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 38.3 p-10 -68.94 -7.99 40.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.542 ' N ' ' O ' ' A' ' 93' ' ' ASP . 77.8 mt-30 40.67 61.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.417 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -96.85 -1.21 46.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.583 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.424 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.08 -4.87 52.57 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.508 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 9.9 m-85 -142.92 148.47 36.98 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.756 0.312 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 mt -96.0 117.08 39.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -86.12 147.42 26.16 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.725 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.94 -43.89 66.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.6 p -60.29 -41.2 92.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.633 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.7 -50.54 62.52 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.179 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.5 tp -66.53 -23.32 66.21 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.345 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.466 ' O ' HG22 ' A' ' 110' ' ' ILE . 79.5 ttt-85 -83.2 -43.06 16.54 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.575 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -54.47 -51.25 65.61 Favored 'General case' 0 CA--C 1.519 -0.212 0 O-C-N 123.562 0.539 . . . . 0.0 109.776 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.5 ' O ' ' C ' ' A' ' 109' ' ' MET . 21.9 t -62.5 -63.28 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.5 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -30.07 -74.26 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.933 -178.763 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.563 HG23 ' N ' ' A' ' 111' ' ' ASN . 16.4 tt -49.19 -44.44 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.105 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.563 ' N ' HG23 ' A' ' 110' ' ' ILE . 63.8 t30 -49.7 -8.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.622 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.539 ' H ' ' C ' ' A' ' 110' ' ' ILE . 71.7 mt -97.59 10.51 39.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.506 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 77.98 45.73 10.12 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -135.38 130.2 34.55 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.205 0.526 . . . . 0.0 110.484 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -99.5 94.94 6.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.739 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.1 mt -100.2 131.86 45.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.324 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 p -70.42 160.57 32.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.243 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.62 -33.2 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.01 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 60.5 mp0 -68.78 -43.92 74.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.721 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -64.83 -45.19 87.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.48 -46.12 93.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.406 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.519 ' OE2' ' NZ ' ' A' ' 126' ' ' LYS . 36.9 tp10 -60.25 -27.4 67.19 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.319 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -70.94 -60.16 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.452 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.457 ' HE2' ' CE2' ' B' ' 23' ' ' TRP . 23.7 ttt -44.78 -54.43 6.34 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.765 0.317 . . . . 0.0 111.045 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 126' ' ' LYS . 4.4 tp -55.84 -43.0 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.582 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.519 ' NZ ' ' OE2' ' A' ' 122' ' ' GLU . 47.8 mttp -71.34 -28.44 64.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.427 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -79.1 -55.19 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.706 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -48.37 -41.88 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.536 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.2 t0 -79.07 107.83 12.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.24 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.635 HD23 ' H ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -79.61 -26.68 41.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 132' ' ' GLY . 5.5 p-10 -89.52 -0.6 57.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.545 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 52.51 106.91 0.01 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.451 ' OD2' ' O ' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -154.78 -22.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.614 0.245 . . . . 0.0 110.355 179.74 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.13 1.75 58.21 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.451 ' O ' ' OD2' ' A' ' 133' ' ' ASP . 7.7 mt-30 -146.95 156.3 42.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.38 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.36 122.62 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.419 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.508 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 21.3 t-20 -86.19 155.18 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.757 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -46.62 -44.33 18.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.129 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.3 -47.0 87.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.997 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.67 -39.68 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.286 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.97 -48.57 81.16 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.251 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.2 t -57.9 -47.34 86.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.268 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.27 -32.69 73.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.523 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.5 tpt -73.05 -38.7 66.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.715 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -26.31 67.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.68 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.8 mtp . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -60.01 -44.09 94.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.242 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -63.78 -42.86 97.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.419 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.483 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 0.2 OUTLIER -61.91 -46.73 88.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.641 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.706 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 0.8 OUTLIER -62.73 -47.85 81.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.994 179.517 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.56 -39.98 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.13 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 72.3 m -60.61 -41.98 95.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.113 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.549 ' O ' HG23 ' B' ' 30' ' ' VAL . 5.8 m -60.52 -44.26 96.22 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.187 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.61 -43.33 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.616 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -65.73 -45.22 83.48 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.322 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.52 -42.93 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.234 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 26' ' ' SER . 41.9 t -60.48 -40.51 84.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.646 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.583 ' NZ ' HH22 ' B' ' 38' ' ' ARG . 28.3 tptt -62.86 -42.84 99.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.432 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -77.01 -14.81 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.965 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' B' ' 34' ' ' ALA . 52.9 ttp180 -79.02 -60.63 2.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.453 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 35.6 48.89 0.48 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.031 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -58.97 -4.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.194 0.521 . . . . 0.0 110.098 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.453 ' H ' ' C ' ' B' ' 34' ' ' ALA . 88.9 mtm180 -104.09 -0.36 28.76 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.547 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.433 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.3 OUTLIER 58.97 50.06 8.81 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.187 179.65 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.583 HH22 ' NZ ' ' B' ' 31' ' ' LYS . 24.9 mtm180 -50.1 -33.99 20.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.158 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' B' ' 39' ' ' MET . 0.6 OUTLIER -61.74 -69.63 0.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.146 0.498 . . . . 0.0 110.744 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.91 -44.41 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.472 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.55 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 56.6 m -53.1 -44.09 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.093 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -64.75 -41.03 96.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.514 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.289 -179.673 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.898 0.38 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 10' ' ' VAL . 98.5 mt-10 -51.71 -22.05 3.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.453 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.53 -54.63 36.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.108 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.552 HE22 ' CG ' ' B' ' 32' ' ' ASN . 17.1 mm100 -52.06 -47.4 65.14 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.45 -47.04 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.342 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 6' ' ' GLU . 22.7 t -57.75 -46.94 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -52.39 -65.56 0.54 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.148 0.499 . . . . 0.0 109.816 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -48.64 -39.4 24.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.426 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -60.88 -39.47 89.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.76 -51.13 66.27 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.65 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.73 71.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 41.9 t80 -63.12 -48.29 79.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.328 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.49 -34.13 54.71 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.78 -44.68 76.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.975 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CE2' ' CD1' ' B' ' 37' ' ' PHE . 14.9 m-85 -59.38 -37.08 77.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.471 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.528 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 95.5 m-20 -100.1 81.54 2.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.72 -19.6 64.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.361 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' GLY . 51.8 p30 -109.97 35.03 3.53 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.811 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.67 57.73 0.01 OUTLIER Glycine 0 N--CA 1.469 0.835 0 O-C-N 123.923 0.764 . . . . 0.0 111.837 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 12.3 p-10 -83.14 -27.99 29.71 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 106.66 9.1 31.42 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 10.4 m -161.27 164.88 29.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.847 0.356 . . . . 0.0 110.445 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -112.33 114.09 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.16 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.414 ' OG1' ' OE1' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -85.43 -168.03 2.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.336 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.8 t -86.57 -44.78 16.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.448 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -64.95 -40.26 94.74 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.403 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' OE1' ' OG1' ' A' ' 28' ' ' THR . 91.5 mt-10 -62.6 -49.09 76.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.856 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.575 HD22 HD11 ' A' ' 52' ' ' ILE . 6.5 tp -62.09 -37.88 86.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.892 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB1' HH12 ' A' ' 37' ' ' ARG . . . -60.75 -48.03 83.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.281 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.8 m -56.19 -46.71 79.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.202 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' A' ' 38' ' ' SER . 95.6 t -60.3 -42.51 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.365 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.69 -43.98 99.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.561 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.523 HH12 ' HB1' ' A' ' 33' ' ' ALA . 96.6 mtm-85 -62.6 -32.06 73.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 35' ' ' VAL . 29.9 p -56.02 -30.62 62.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.221 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.8 mp -77.06 15.58 0.68 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.742 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 38' ' ' SER . 91.3 m-20 62.77 46.6 5.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.715 0.634 . . . . 0.0 110.661 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.9 pt20 -154.01 129.44 9.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.364 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -123.09 80.89 51.39 Favored Pre-proline 0 N--CA 1.47 0.557 0 CA-C-O 121.082 0.467 . . . . 0.0 110.829 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.21 -153.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.003 2.469 . . . . 0.0 111.608 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 t -111.17 146.41 36.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.296 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -54.14 -22.62 11.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.572 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.06 -44.9 95.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.71 -29.72 70.29 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 120.973 0.416 . . . . 0.0 110.542 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 48' ' ' LEU . 9.5 mp -76.97 -55.52 5.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -59.92 -26.27 65.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.215 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 54' ' ' GLU . 45.5 t0 -68.97 -59.0 3.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.12 -41.08 99.27 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.544 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.799 HD13 HD11 ' A' ' 63' ' ' ILE . 28.1 mm -62.63 -30.1 48.48 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.0 m -96.48 -17.9 20.22 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.017 0.437 . . . . 0.0 110.928 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 50' ' ' ASP . 50.7 tp10 -61.9 -45.91 91.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.271 -178.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 56' ' ' ASP . 5.1 p -97.81 -44.91 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.892 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.523 ' N ' HG13 ' A' ' 55' ' ' VAL . 37.1 t0 -55.79 82.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.534 -178.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.58 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.01 -67.92 0.24 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.396 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 59' ' ' GLY . 4.2 p30 -66.01 16.18 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.58 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 13.08 60.14 0.01 OUTLIER Glycine 0 C--N 1.342 0.898 0 O-C-N 124.012 0.82 . . . . 0.0 111.219 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.55 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 8.7 p-10 -81.89 -2.67 51.98 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 120.859 0.361 . . . . 0.0 110.105 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.15 2.36 71.25 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.55 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 65.6 p -139.72 146.33 39.45 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.961 0.41 . . . . 0.0 110.489 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.799 HD11 HD13 ' A' ' 52' ' ' ILE . 84.1 mt -108.66 134.54 50.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.211 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.564 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 45.6 mp0 -92.15 161.59 14.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.603 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -53.97 -45.81 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.551 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 67' ' ' GLU . 39.3 p-10 -60.47 -33.98 73.36 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.804 0.335 . . . . 0.0 110.756 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.504 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.0 mt-10 -72.98 -50.31 24.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.806 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -61.07 -44.04 97.98 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.356 0.598 . . . . 0.0 110.364 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.497 HD23 ' C ' ' A' ' 69' ' ' LEU . 2.1 tt -55.94 -61.27 2.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.222 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 10.1 t -59.81 -38.69 82.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.051 0.453 . . . . 0.0 110.832 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 tp -47.61 -46.82 28.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.0 ttm -92.1 -50.54 5.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.29 -178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.08 -33.93 63.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.118 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 70' ' ' SER . 87.2 tttt -57.47 -66.02 0.53 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.301 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -121.68 103.16 8.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 110.939 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.4 t -92.4 -103.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.733 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.62 ' CG ' ' H ' ' A' ' 78' ' ' ASP . 0.4 OUTLIER -89.12 -107.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.62 ' H ' ' CG ' ' A' ' 77' ' ' LYS . 13.4 t0 74.85 22.68 1.86 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.577 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.1 t -146.0 140.29 26.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.468 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 82' ' ' GLU . 72.4 m-20 44.45 62.51 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 80' ' ' ASP . . . -35.59 -32.14 0.02 OUTLIER 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.386 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.619 ' O ' ' N ' ' A' ' 85' ' ' LEU . 44.0 tt0 -74.01 -72.26 0.28 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.109 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 82' ' ' GLU . 81.3 tt0 -34.04 -35.73 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.288 0.566 . . . . 0.0 110.005 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' GLU . 5.5 tm-20 -69.41 -46.23 67.32 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.513 178.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.619 ' N ' ' O ' ' A' ' 82' ' ' GLU . 74.7 mt -70.6 -9.39 56.79 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.53 178.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -83.51 -50.76 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.99 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' A' ' 88' ' ' ALA . 2.6 pp20? -64.81 -35.12 80.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.537 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -62.21 -47.89 82.44 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.97 -37.47 84.92 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.077 0.465 . . . . 0.0 110.051 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -58.84 -32.08 69.09 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.343 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.75 -52.96 15.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -56.4 -43.59 79.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.867 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 96' ' ' GLN . 41.1 t0 -95.83 77.07 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.134 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -41.93 -61.33 1.15 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.972 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 38.7 p-10 -65.89 -1.76 3.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 93' ' ' ASP . 18.7 pt20 33.79 44.42 0.08 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.566 0.542 . . . . 0.0 111.009 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -82.25 1.03 38.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.127 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.89 -9.19 61.72 Favored Glycine 0 N--CA 1.461 0.348 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -130.17 135.79 48.56 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.699 0.285 . . . . 0.0 110.563 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.1 mt -89.72 112.04 23.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.0 p -83.17 157.16 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.696 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.454 ' HB2' HD13 ' A' ' 125' ' ' ILE . . . -60.67 -42.71 97.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.603 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -58.65 -43.42 89.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -69.0 -53.04 22.67 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.943 0.401 . . . . 0.0 110.352 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.0 tp -58.02 -27.46 63.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.485 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.667 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.3 ttm180 -82.06 -40.72 21.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.26 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 111' ' ' ASN . 52.7 t60 -54.37 -56.58 17.11 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.006 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' ' 109' ' ' MET . 3.5 t -61.31 -64.44 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.502 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.516 ' C ' ' O ' ' A' ' 108' ' ' VAL . 3.6 tpt -30.1 -73.44 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.394 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.554 HG23 ' N ' ' A' ' 111' ' ' ASN . 10.7 tp -52.81 -43.29 45.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.554 ' N ' HG23 ' A' ' 110' ' ' ILE . 66.4 t30 -46.9 -13.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.787 0.327 . . . . 0.0 110.585 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.497 ' N ' ' C ' ' A' ' 110' ' ' ILE . 62.4 mt -96.25 -161.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.258 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.39 0.93 83.58 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -70.45 -173.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.772 0.32 . . . . 0.0 110.426 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.615 ' C ' HD22 ' A' ' 116' ' ' LEU . 8.5 ptpt 178.72 75.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.334 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.658 HD22 ' N ' ' A' ' 116' ' ' LEU . 3.7 mm? -103.65 156.18 17.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.836 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 121' ' ' VAL . 67.7 p -78.35 -178.17 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.563 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -73.65 -30.82 63.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.018 0.437 . . . . 0.0 110.661 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 58.1 mp0 -76.14 -41.15 50.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -65.99 -42.31 89.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.667 HG11 ' HE ' ' A' ' 106' ' ' ARG . 62.6 t -63.09 -49.3 83.92 Favored 'Isoleucine or valine' 0 C--O 1.246 0.869 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.35 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.36 -28.55 68.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.171 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.438 ' O ' ' OE1' ' A' ' 123' ' ' GLN . 0.1 OUTLIER -67.41 -53.06 32.52 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.708 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.4 ' HE3' ' CD1' ' B' ' 23' ' ' TRP . 26.4 ttt -50.97 -59.07 4.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.819 0.343 . . . . 0.0 110.647 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.454 HD13 ' HB2' ' A' ' 102' ' ' ALA . 10.0 tt -54.35 -37.11 36.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.631 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.94 -44.92 87.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.762 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.36 -46.54 66.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.672 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -58.17 -25.77 61.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.516 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 47.9 t0 -98.04 103.11 15.02 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.933 0.397 . . . . 0.0 110.016 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 130' ' ' LEU . 10.2 mp -62.0 -49.1 77.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 2.8 p30 -77.46 -5.23 49.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.654 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 46.38 44.06 15.25 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.538 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.526 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 57.7 m-20 -69.25 -7.53 37.68 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.45 -3.28 53.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -152.99 176.27 12.05 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 120.854 0.359 . . . . 0.0 110.365 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.5 t -124.3 125.78 71.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.951 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -90.97 156.28 18.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.732 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -48.67 -42.76 35.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.193 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.98 -48.67 80.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.919 0.39 . . . . 0.0 110.247 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.2 -40.72 98.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -61.09 -49.7 76.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.974 0.416 . . . . 0.0 110.583 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.15 -43.97 94.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.258 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.28 -35.89 80.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.265 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 144' ' ' MET . 0.4 OUTLIER -72.81 -30.0 63.71 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.938 0.399 . . . . 0.0 111.129 179.55 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 92.2 mmm -89.46 -29.01 19.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.54 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 87.7 mmm . . . . . 0 N--CA 1.465 0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.94 -179.543 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -62.02 -38.96 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.444 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.82 -39.81 87.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.364 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -62.01 -39.77 93.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.031 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.672 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 2.0 m95 -63.05 -51.93 64.76 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.288 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -65.24 -34.34 78.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.104 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.5 t -60.4 -45.79 92.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.481 ' OG ' ' SD ' ' A' ' 109' ' ' MET . 16.3 m -59.82 -46.43 89.24 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.609 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 90.1 t -68.82 -42.55 82.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.524 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 63.8 p -64.28 -40.45 95.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' B' ' 33' ' ' ARG . 51.5 mt -61.95 -42.83 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.275 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.86 -44.4 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.154 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -76.63 -25.28 53.64 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.747 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.552 ' CG ' HE22 ' A' ' 8' ' ' GLN . 99.2 m-20 -90.98 -13.69 32.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.118 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' B' ' 35' ' ' ARG . 69.3 ttt180 -109.49 -47.52 3.37 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.424 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.542 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 63.37 -66.54 0.1 Allowed 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 123.275 0.36 . . . . 0.0 110.497 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' B' ' 33' ' ' ARG . 67.9 ttp85 68.45 -37.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.425 0.453 . . . . 0.0 110.395 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.542 ' H ' ' C ' ' B' ' 34' ' ' ALA . 87.0 mtt180 -97.71 -6.36 33.16 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.692 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.522 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER 66.0 57.37 0.8 Allowed 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 121.006 0.431 . . . . 0.0 110.358 179.379 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 38' ' ' ARG . 36.8 mtp-105 -46.96 -39.47 12.45 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.911 0.386 . . . . 0.0 110.421 -178.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -66.64 -67.96 0.41 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.49 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 93.7 mt -60.79 -42.85 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.115 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' B' ' 37' ' ' PHE . 87.8 p -51.46 -45.37 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.119 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -63.01 -42.08 99.74 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.618 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.556 ' N ' HD22 ' B' ' 43' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.216 -0.671 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.721 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.91 0.386 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 10' ' ' VAL . 97.2 mt-10 -54.88 -23.3 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.402 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -59.93 -28.06 67.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.245 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -76.32 -52.73 9.36 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.12 -39.95 84.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.056 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 6' ' ' GLU . 41.5 t -61.79 -49.48 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.196 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.554 ' CG ' ' HE ' ' B' ' 33' ' ' ARG . 50.7 t0 -51.98 -51.73 55.29 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.244 0.545 . . . . 0.0 110.069 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -61.83 -37.26 83.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.278 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -57.93 -41.78 83.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.186 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.07 -47.86 82.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.043 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.31 82.3 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.338 0.589 . . . . 0.0 110.278 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.44 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 18.9 t80 -59.01 -46.48 88.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.329 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.92 -38.55 65.38 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.32 -44.39 96.61 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.239 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.501 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 21.6 m-85 -70.52 -40.34 73.54 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.862 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 11.4 t0 -92.5 81.99 4.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.536 ' NZ ' ' CG2' ' A' ' 35' ' ' VAL . 3.5 mptp? -59.24 -42.18 90.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.264 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 23' ' ' GLY . 2.8 p30 -92.16 32.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.525 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.74 57.5 0.01 OUTLIER Glycine 0 N--CA 1.473 1.151 0 O-C-N 123.63 0.581 . . . . 0.0 111.761 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 22' ' ' ASP . 57.9 m-20 -78.28 -28.6 47.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.457 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.421 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 110.51 11.89 18.41 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 11.6 m -160.0 164.35 33.35 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.308 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.8 mt -116.42 126.6 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.963 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.509 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -100.82 -165.17 1.18 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 -179.778 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.509 ' H ' HG22 ' A' ' 28' ' ' THR . 80.9 t -90.0 -38.83 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.825 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -67.85 -39.0 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -69.14 -51.15 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.95 0.405 . . . . 0.0 110.061 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 19' ' ' PHE . 6.0 tp -61.63 -36.25 80.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.177 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.97 98.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.144 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.8 m -59.2 -51.4 70.13 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.972 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.536 ' CG2' ' NZ ' ' A' ' 21' ' ' LYS . 79.4 t -61.38 -43.12 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.085 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.9 mt -60.15 -44.54 95.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -65.53 -21.73 66.64 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.983 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -94.59 19.69 9.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.332 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -109.19 10.87 25.75 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.45 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 3.1 t70 77.88 23.33 0.78 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.421 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -152.62 154.74 35.97 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -135.63 77.93 50.95 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -65.61 154.85 71.96 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 123.178 2.585 . . . . 0.0 111.732 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.1 t -67.62 141.76 56.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.386 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.53 -34.36 72.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.431 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -54.03 -56.78 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.473 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.492 ' H ' HG23 ' A' ' 44' ' ' THR . 82.8 tt0 -66.23 -34.62 78.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.919 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 48' ' ' LEU . 4.4 tt -61.4 -53.22 59.42 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.039 0.447 . . . . 0.0 110.443 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.69 -37.89 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.41 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -66.69 -41.9 87.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.688 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -61.13 -45.81 93.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.785 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.53 -41.77 91.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.1 p -65.78 -33.86 76.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.01 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -59.5 -40.65 87.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.733 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.466 HG21 HD13 ' A' ' 71' ' ' LEU . 84.7 t -87.34 -37.73 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.546 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 36.0 t0 -76.31 94.4 3.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.525 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -42.53 -63.51 0.76 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.47 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' O ' ' C ' ' A' ' 59' ' ' GLY . 4.6 p30 -69.08 12.63 0.14 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 11.59 60.29 0.01 OUTLIER Glycine 0 N--CA 1.476 1.328 0 O-C-N 124.245 0.966 . . . . 0.0 111.218 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.82 ' ND2' ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -87.12 -9.36 55.5 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.696 0.284 . . . . 0.0 110.394 -179.039 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.66 ' N ' HD22 ' A' ' 60' ' ' ASN . . . 94.3 5.38 62.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.82 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 20.7 p -133.89 128.03 33.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.76 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.6 mt -94.9 117.78 39.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.992 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -83.01 158.76 22.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.341 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.408 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 22.9 t80 -45.59 -55.23 6.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.022 0.439 . . . . 0.0 110.625 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -53.37 -36.2 61.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.916 0.389 . . . . 0.0 110.754 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -73.47 -43.89 59.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -59.49 -47.95 83.53 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.272 0.558 . . . . 0.0 110.493 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 73' ' ' ALA . 10.8 mp -62.63 -46.98 85.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.41 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.5 p -55.75 -44.9 78.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.765 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.466 HD13 HG21 ' A' ' 55' ' ' VAL . 28.3 tp -50.86 -58.84 4.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.919 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.6 mtt -79.17 -45.75 19.31 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.879 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 69' ' ' LEU . . . -47.43 -30.3 3.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.75 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -53.39 -70.62 0.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.789 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 76' ' ' VAL . 19.3 pttp 176.34 69.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 77' ' ' LYS . 9.9 p -38.1 157.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.996 0.427 . . . . 0.0 110.173 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.494 ' N ' HG22 ' A' ' 76' ' ' VAL . 6.0 tppt? -119.9 -39.81 2.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.29 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.531 ' CG ' ' HE ' ' B' ' 38' ' ' ARG . 12.2 t0 83.58 -69.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.582 0.551 . . . . 0.0 110.544 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.8 -72.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.464 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -153.53 166.48 32.59 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.672 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.3 36.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.961 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.589 ' O ' ' N ' ' A' ' 85' ' ' LEU . 95.5 mt-10 -72.28 -68.34 0.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.379 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLU . 60.9 mm-40 -34.76 -39.25 0.09 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.616 0.722 . . . . 0.0 109.985 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -69.33 -46.85 66.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.073 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' A' ' 82' ' ' GLU . 42.2 mt -62.32 -13.8 32.58 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 110.332 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -83.06 -46.58 12.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.572 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.35 -45.86 91.97 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.21 -49.55 75.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.675 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -58.9 -41.62 87.66 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.934 0.397 . . . . 0.0 110.439 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -59.58 -36.51 76.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.386 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.0 t -72.7 -60.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.141 0.496 . . . . 0.0 110.284 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -49.75 -42.12 45.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' A' ' 96' ' ' GLN . 26.2 t0 -88.62 58.86 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.045 179.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.418 ' NZ ' ' CD2' ' A' ' 107' ' ' HIS . 53.1 mtpt -39.38 -58.58 1.21 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 5.4 p30 -63.41 -13.38 39.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.654 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 93' ' ' ASP . 74.4 mt-30 48.57 69.08 0.6 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.507 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.462 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 10.3 m120 -107.83 -1.72 20.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.315 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.36 2.09 62.13 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.652 ' CB ' HE21 ' A' ' 135' ' ' GLN . 1.1 m-85 -145.47 150.69 36.95 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.9 mt -96.98 111.0 26.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 p -84.05 154.73 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.107 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.6 -44.24 80.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.1 p -61.23 -44.82 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.94 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.446 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 37.4 mt-10 -61.31 -53.63 54.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.099 0.476 . . . . 0.0 109.987 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.6 tp -62.35 -21.5 65.36 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.26 0.552 . . . . 0.0 110.429 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.593 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.1 ttm180 -83.3 -40.71 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.983 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.543 ' HD1' ' C ' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -56.91 -52.47 65.05 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 112' ' ' LEU . 10.8 t -60.82 -64.46 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.25 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -32.57 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.532 0.52 . . . . 0.0 111.16 -179.015 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.583 HG23 ' N ' ' A' ' 111' ' ' ASN . 10.8 tp -53.22 -44.93 54.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.788 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.583 ' N ' HG23 ' A' ' 110' ' ' ILE . 55.7 t30 -69.23 -8.7 48.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.487 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 108' ' ' VAL . 11.1 tp -86.92 18.01 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.825 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.76 -10.71 37.49 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -86.04 141.96 29.09 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.488 ' C ' HD22 ' A' ' 116' ' ' LEU . 24.5 mtmm -104.49 94.31 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.642 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.493 HD11 ' NE ' ' B' ' 22' ' ' ARG . 3.9 mm? -108.66 130.58 55.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.252 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.7 p -68.66 172.57 6.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.236 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 45.4 p-10 -72.33 -34.24 67.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -68.8 -39.54 80.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.588 179.76 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.498 ' OE1' ' NH1' ' B' ' 22' ' ' ARG . 6.9 mm-40 -63.61 -46.14 87.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.174 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.593 HG11 ' HE ' ' A' ' 106' ' ' ARG . 71.3 t -62.52 -47.12 94.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.47 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.64 -22.74 67.05 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.352 0.596 . . . . 0.0 110.383 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -75.45 -57.88 3.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.112 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.546 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 10.1 ttp -55.12 -48.89 73.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.489 HG23 ' N ' ' A' ' 126' ' ' LYS . 4.4 tp -58.8 -42.38 85.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.494 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.489 ' N ' HG23 ' A' ' 125' ' ' ILE . 55.4 mttp -69.13 -37.82 78.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.237 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -79.02 -61.95 1.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.195 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -45.19 -30.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.61 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 41.5 t0 -87.28 118.0 26.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.45 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.96 ' H ' HD22 ' A' ' 130' ' ' LEU . 1.3 mm? -65.95 -48.43 71.35 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.461 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 13.3 p-10 -92.97 -5.42 50.74 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.091 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.53 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 67.43 -125.65 23.98 Favored Glycine 0 C--O 1.225 -0.411 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 132' ' ' GLY . 1.7 m-20 79.73 8.95 1.57 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.765 0.317 . . . . 0.0 110.492 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.41 13.19 49.1 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.652 HE21 ' CB ' ' A' ' 99' ' ' TYR . 51.7 tt0 -144.72 136.73 25.96 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.7 t -113.2 126.44 70.62 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.206 0.527 . . . . 0.0 110.431 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -91.84 150.0 21.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.569 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.472 ' CE2' HG21 ' A' ' 142' ' ' VAL . 58.9 t80 -44.64 -40.32 5.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.298 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.47 -51.45 69.81 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.414 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.443 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 91.0 mt-10 -60.88 -39.68 90.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.059 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -59.23 -50.98 71.95 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.688 0.756 . . . . 0.0 110.093 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.472 HG21 ' CE2' ' A' ' 138' ' ' TYR . 54.3 t -56.75 -42.32 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.772 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -56.27 -38.3 70.99 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.648 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.9 ttt -62.64 -40.35 96.74 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.97 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 16.0 mmm -78.9 -15.19 58.65 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.581 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 53.8 mtt . . . . . 0 CA--C 1.514 -0.414 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.312 -179.422 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 74.6 ttt-85 -59.51 -47.37 85.8 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.128 0.49 . . . . 0.0 110.586 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -68.0 -36.28 79.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.352 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.498 ' NH1' ' OE1' ' A' ' 120' ' ' GLU . 34.6 ttm180 -61.96 -44.43 96.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.546 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 0.5 OUTLIER -60.14 -47.91 83.92 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.367 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -65.86 -34.57 78.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.705 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.0 t -61.83 -44.44 96.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.834 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.552 ' O ' HG23 ' B' ' 30' ' ' VAL . 20.4 p -61.18 -42.83 99.27 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.148 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -68.89 -42.11 82.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.401 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 68.1 p -67.46 -45.95 74.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.247 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.64 -41.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 26' ' ' SER . 26.7 t -60.62 -44.43 96.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.031 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -62.66 -40.07 95.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.234 -0.586 . . . . 0.0 109.96 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.56 -38.28 80.63 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.343 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.554 ' HE ' ' CG ' ' A' ' 11' ' ' ASP . 2.6 ttm180 -64.4 -43.64 93.8 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.824 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 40.06 61.45 1.5 Allowed 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -74.87 29.42 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.188 0.518 . . . . 0.0 109.964 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' B' ' 34' ' ' ALA . 25.7 ttm180 -148.93 -7.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.124 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.479 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.3 m-85 67.09 51.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.322 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.531 ' HE ' ' CG ' ' A' ' 78' ' ' ASP . 43.6 mtm-85 -50.35 -36.43 32.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.412 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 7.7 tpt -62.97 -70.27 0.22 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 110.932 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.413 HD13 HD11 ' A' ' 32' ' ' LEU . 69.5 mt -62.82 -43.33 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.607 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 35.4 t -53.55 -45.54 69.91 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.224 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -64.82 -40.28 94.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.267 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.499 HD12 ' N ' ' B' ' 43' ' ' LEU . 11.2 mp . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.238 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 121.05 0.453 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.527 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 42.0 mp0 -55.97 -22.06 24.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.402 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.2 -54.62 38.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 4.9 mp0 -48.54 -39.29 22.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.585 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.5 mp -69.66 -43.22 80.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.357 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.7 t -61.63 -49.85 82.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.17 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.02 -48.87 78.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.021 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.8 -42.29 88.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.359 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -64.74 -35.12 80.03 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.415 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.66 -49.53 77.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.258 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.503 ' HB1' ' HE1' ' B' ' 37' ' ' PHE . . . -62.43 -37.08 84.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -60.11 -51.1 71.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.581 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.69 -31.14 74.24 Favored Glycine 0 N--CA 1.453 -0.172 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.64 -52.61 62.65 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.242 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.605 ' CE1' HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -60.39 -29.97 69.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.971 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -94.76 81.55 3.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.624 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -73.4 -16.16 61.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.616 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 1.9 p30 -112.63 26.99 10.02 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.741 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 21.75 61.49 0.02 OUTLIER Glycine 0 C--N 1.34 0.753 0 O-C-N 123.785 0.678 . . . . 0.0 111.897 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 53.1 m-20 -89.91 -27.65 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.102 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.13 -1.98 28.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.4 p -159.96 165.91 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.626 0.25 . . . . 0.0 110.379 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 52.8 mt -109.55 111.8 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -80.37 -168.06 1.56 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 -179.629 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.459 ' H ' HG22 ' A' ' 28' ' ' THR . 67.9 t -81.4 -50.23 16.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.39 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -62.1 -45.01 95.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.172 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -53.79 -48.06 70.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.652 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.605 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.6 tp -61.91 -41.86 98.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.496 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.25 -51.95 66.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.359 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.4 m -56.18 -47.86 77.47 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.053 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.541 HG11 ' CE1' ' A' ' 19' ' ' PHE . 72.2 t -61.83 -44.08 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.113 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 40' ' ' ASP . 66.6 mt -62.36 -42.94 97.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.204 179.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.519 ' O ' ' O ' ' A' ' 40' ' ' ASP . 61.1 ttm-85 -51.55 -57.64 8.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.051 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 t -62.72 -40.79 98.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.955 0.407 . . . . 0.0 110.106 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 37.5 tp -77.22 -3.49 39.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.982 0.896 . . . . 0.0 110.026 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 36' ' ' ILE . 29.5 t0 -158.12 -140.97 0.08 Allowed 'General case' 0 C--N 1.311 -1.072 0 O-C-N 121.51 -0.744 . . . . 0.0 110.589 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.507 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 97.9 mm-40 -107.69 -87.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.143 0.497 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -168.76 63.23 0.53 Allowed Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.758 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.91 140.42 66.48 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.58 2.186 . . . . 0.0 111.65 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 47' ' ' GLU . 6.1 t -51.23 133.53 28.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.204 0.526 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -52.14 -19.75 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.431 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -61.69 -44.94 95.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.722 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' H ' HG23 ' A' ' 44' ' ' THR . 80.6 tt0 -67.0 -30.76 70.96 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.375 0.607 . . . . 0.0 110.455 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.492 HD22 HD13 ' A' ' 36' ' ' ILE . 15.6 mt -75.71 -45.78 34.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.975 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -69.06 -23.68 64.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.091 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.49 -57.01 6.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.577 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -66.58 -37.65 85.36 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.682 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.671 ' CD1' HD11 ' A' ' 63' ' ' ILE . 5.7 mm -72.46 -13.11 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.727 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -91.75 -36.05 13.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.145 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.6 -40.09 96.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.993 0.425 . . . . 0.0 111.367 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.9 t -84.52 -11.74 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.94 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -80.2 99.38 7.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.695 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.77 3.97 46.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.764 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -129.14 21.61 5.74 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.825 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.1 39.47 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.582 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 52.0 p-10 -87.76 -27.23 22.47 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 121.2 -0.2 . . . . 0.0 110.636 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 87.09 9.13 74.17 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.483 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 22.4 p -134.11 160.75 36.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.916 0.388 . . . . 0.0 110.463 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.671 HD11 ' CD1' ' A' ' 52' ' ' ILE . 70.5 mt -109.59 131.12 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.084 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.556 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 52.6 mp0 -107.22 160.04 15.89 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.221 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -44.68 -48.56 10.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.694 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.544 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 15.5 p-10 -60.85 -34.7 75.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.067 0.46 . . . . 0.0 110.298 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HB2' ' H ' ' A' ' 64' ' ' GLU . 92.6 mt-10 -77.27 -43.61 32.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.592 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.4 -45.61 93.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.865 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.601 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.8 tt -62.39 -46.35 89.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.182 0.515 . . . . 0.0 109.938 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.2 t -60.67 -41.61 95.41 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.212 0.529 . . . . 0.0 110.8 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.8 tp -56.71 -53.12 61.37 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.462 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.517 ' O ' ' O ' ' A' ' 75' ' ' LYS . 11.2 mmt -70.79 -38.81 73.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.9 -32.02 8.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.523 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -81.12 -40.2 24.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.631 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.517 ' O ' ' O ' ' A' ' 72' ' ' MET . 13.6 mptt -88.43 144.84 26.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.036 0.446 . . . . 0.0 109.886 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 t 68.43 40.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.504 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -158.38 109.76 2.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.898 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 77.57 21.44 1.0 Allowed 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.79 0.681 . . . . 0.0 110.453 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 70.8 p -62.42 -83.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.675 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.409 ' N ' ' OG1' ' A' ' 79' ' ' THR . 27.1 t70 -175.03 149.68 1.12 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.389 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.51 -54.87 14.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.737 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -54.56 -20.78 8.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.648 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -79.0 -58.14 3.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.164 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.51 -35.21 77.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.42 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.72 -41.85 95.67 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -80.91 -39.41 26.31 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.262 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 91' ' ' VAL . 9.8 tm-20 -61.19 -39.66 91.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.23 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.95 -59.1 4.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.834 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -55.03 -31.82 61.39 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.353 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.434 ' HA ' HE22 ' A' ' 96' ' ' GLN . 65.8 tttm -64.0 -39.91 95.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.428 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 87' ' ' GLU . 90.4 t -73.54 -47.32 45.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.134 0.493 . . . . 0.0 111.126 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -63.4 -49.37 74.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.695 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.428 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 21.5 t0 -77.37 62.03 2.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.978 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -43.92 -58.39 2.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.405 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 0.5 OUTLIER -71.36 3.68 3.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 111.005 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.434 HE22 ' HA ' ' A' ' 90' ' ' LYS . 65.8 mm-40 46.09 25.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.016 0.436 . . . . 0.0 110.579 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.3 p-10 -65.71 -7.04 13.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.78 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.428 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 88.46 -0.09 82.8 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -136.7 140.9 43.01 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.8 mt -95.84 117.83 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.091 0.472 . . . . 0.0 110.073 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 t -88.19 145.98 25.62 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.77 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.11 -45.93 44.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.225 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.5 t -59.86 -43.17 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 110.38 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.405 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 44.3 mt-10 -63.83 -51.04 66.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.169 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 105' ' ' LEU . 2.4 tp -65.61 -26.85 68.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.896 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.525 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.6 ttm180 -78.34 -44.03 26.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.099 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -55.93 -49.7 72.77 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.588 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 109' ' ' MET . 55.1 t -62.88 -62.38 1.21 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.914 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -31.72 -71.17 0.06 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.799 0.333 . . . . 0.0 110.984 -178.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.58 HG23 ' N ' ' A' ' 111' ' ' ASN . 16.6 tt -53.14 -44.3 51.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.533 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.58 ' N ' HG23 ' A' ' 110' ' ' ILE . 62.2 t30 -48.23 -11.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.634 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.553 ' O ' ' NH2' ' B' ' 33' ' ' ARG . 74.9 mt -86.97 12.9 10.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.222 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.03 5.48 75.92 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -93.33 138.25 31.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.811 0.339 . . . . 0.0 110.432 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -84.58 93.43 8.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.413 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 116' ' ' LEU . 4.3 mm? -97.61 129.97 44.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.446 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.7 p -90.86 162.14 14.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.246 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.77 -33.97 77.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.342 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.16 -47.44 74.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.614 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.0 -43.71 95.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.577 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.525 HG11 ' HE ' ' A' ' 106' ' ' ARG . 90.1 t -62.36 -43.83 98.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.576 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -67.26 -24.41 65.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.542 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.15 -59.19 2.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.052 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.623 ' SD ' ' N ' ' A' ' 125' ' ' ILE . 3.7 ppp? -58.06 -43.47 86.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.623 ' N ' ' SD ' ' A' ' 124' ' ' MET . 3.5 tp -62.8 -36.96 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-O 121.084 0.469 . . . . 0.0 110.174 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -63.67 -39.59 94.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.231 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -75.49 -46.49 32.04 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.491 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -61.47 -39.99 92.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.081 0.467 . . . . 0.0 110.278 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 54.0 t0 -79.23 105.82 10.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.075 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.82 -43.3 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.191 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 10.0 p30 -89.12 1.96 54.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.633 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 45.4 33.51 4.33 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.511 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.1 p-10 -71.21 -11.23 60.82 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.617 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.28 6.28 57.74 Favored Glycine 0 N--CA 1.465 0.586 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -148.8 160.35 43.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.837 0.351 . . . . 0.0 110.348 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.11 125.49 72.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.367 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.65 HD22 ' N ' ' A' ' 137' ' ' ASN . 0.6 OUTLIER -91.42 172.92 8.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.315 179.45 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -59.43 -40.34 86.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.421 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -60.29 -54.48 45.18 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.048 0.451 . . . . 0.0 110.698 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -60.45 -34.85 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.262 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.45 -46.46 89.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.65 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.6 t -59.8 -45.65 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.261 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -59.92 -38.03 81.16 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.808 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 74.9 mmm -67.91 -30.39 69.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.15 0.5 . . . . 0.0 110.381 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.7 mmt -74.09 -29.34 61.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.197 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.2 mmm . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.8 -179.66 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.528 ' NH1' HE21 ' B' ' 21' ' ' GLN . 7.2 ptm180 -60.14 -36.53 77.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.318 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.528 HE21 ' NH1' ' B' ' 20' ' ' ARG . 92.2 mm-40 -64.84 -41.65 95.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.542 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -62.36 -38.6 90.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.491 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 3.0 m95 -66.45 -51.08 60.67 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-O 121.204 0.526 . . . . 0.0 110.136 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -65.82 -36.81 84.55 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.145 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 68.9 m -60.19 -44.47 95.08 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.111 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -60.16 -44.35 95.07 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.231 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.466 ' O ' HG12 ' B' ' 30' ' ' VAL . 96.2 t -70.66 -41.06 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.466 0.65 . . . . 0.0 110.523 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.0 p -71.22 -36.61 71.93 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.079 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 57.2 mt -66.3 -44.07 91.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.562 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.466 HG12 ' O ' ' B' ' 27' ' ' VAL . 0.3 OUTLIER -63.47 -36.67 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 C-N-CA 120.496 -0.481 . . . . 0.0 109.895 -179.003 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -69.98 -47.19 63.23 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.644 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -69.53 -34.67 74.57 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.042 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.553 ' NH2' ' O ' ' A' ' 112' ' ' LEU . 49.9 ttm-85 -60.9 -52.16 66.21 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.498 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 22.66 48.41 0.01 OUTLIER 'General case' 0 C--N 1.349 0.553 0 O-C-N 124.13 0.894 . . . . 0.0 111.255 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' B' ' 33' ' ' ARG . 70.8 ttt-85 -55.15 -8.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.145 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' B' ' 34' ' ' ALA . 10.4 ptp85 -111.22 8.34 21.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.823 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.503 ' HE1' ' HB1' ' A' ' 15' ' ' ALA . 2.4 m-85 47.36 78.69 0.07 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.256 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -59.95 -32.91 71.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.398 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . 0.427 ' O ' ' N ' ' B' ' 43' ' ' LEU . 6.5 tpt -68.12 -60.63 2.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.25 0.548 . . . . 0.0 110.702 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.41 -42.57 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.353 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 46.8 t -58.59 -44.02 89.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.337 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.524 ' O ' ' C ' ' B' ' 43' ' ' LEU . 25.2 t-20 -90.06 -6.38 55.57 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 118.784 -0.627 . . . . 0.0 111.211 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 117.588 -1.196 . . . . 0.0 111.353 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 m . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.579 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 43.2 mp0 -55.77 -27.27 50.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.279 -179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 7' ' ' GLU . 46.8 mp0 -49.44 -61.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.989 0.423 . . . . 0.0 110.376 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -49.15 -45.77 44.25 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.789 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.53 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.3 mp -64.64 -41.22 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.213 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 6' ' ' GLU . 23.4 t -58.91 -49.51 82.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.949 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.58 -52.26 65.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.277 0.561 . . . . 0.0 110.144 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -62.48 -43.63 98.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.921 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -60.56 -36.01 77.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.387 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -60.45 -51.08 71.01 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.874 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.05 78.2 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.272 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.26 -49.3 76.5 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.168 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.09 -36.96 57.6 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.63 -49.55 76.12 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.535 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.551 ' CD1' HD12 ' A' ' 32' ' ' LEU . 3.4 m-85 -60.28 -38.06 82.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.263 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 53.1 t0 -96.35 76.53 2.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -61.32 -38.28 86.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.165 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 23' ' ' GLY . 21.4 p-10 -86.15 32.0 0.63 Allowed 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.82 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.512 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 13.76 60.13 0.01 OUTLIER Glycine 0 C--N 1.351 1.393 0 O-C-N 124.179 0.924 . . . . 0.0 111.555 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 50.9 p-10 -88.49 -26.41 22.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 110.369 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.516 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.65 14.03 15.14 Favored Glycine 0 N--CA 1.467 0.721 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.5 p -166.32 170.25 13.29 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.44 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -113.92 115.94 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -83.94 -177.91 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.15 0.5 . . . . 0.0 110.972 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -81.49 -47.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.562 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.94 -42.71 97.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 42.0 mt-10 -61.62 -47.13 86.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.473 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.551 HD12 ' CD1' ' A' ' 19' ' ' PHE . 6.0 tp -59.89 -37.62 79.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.107 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.91 79.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.653 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.2 m -60.44 -46.23 90.79 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.237 0.542 . . . . 0.0 110.529 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.71 -45.44 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.363 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' ASP . 78.7 mt -57.09 -42.43 79.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.686 -0.406 . . . . 0.0 109.932 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -66.83 -23.41 66.04 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.188 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.4 p -74.13 -39.3 63.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.065 0.46 . . . . 0.0 110.859 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 1.6 pp -95.03 14.73 20.88 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.875 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 13.2 t0 87.7 165.36 0.07 Allowed 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 123.878 0.736 . . . . 0.0 109.319 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 27.4 tt0 86.03 133.61 0.04 OUTLIER 'General case' 0 C--O 1.225 -0.192 0 O-C-N 123.84 0.712 . . . . 0.0 109.982 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -132.2 74.51 76.16 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -76.46 149.04 30.47 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.467 HG23 ' H ' ' A' ' 47' ' ' GLU . 9.6 t -58.44 142.97 47.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.158 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 6.0 pm0 -58.84 -26.7 64.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.43 -42.93 74.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.561 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.467 ' H ' HG23 ' A' ' 44' ' ' THR . 95.8 mt-10 -69.82 -28.7 65.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.545 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt -74.94 -50.29 17.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.027 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -64.33 -37.3 87.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.258 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -65.0 -45.63 84.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.405 ' O ' HG12 ' A' ' 55' ' ' VAL . 41.9 ttm -57.84 -48.8 78.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.954 0.407 . . . . 0.0 110.283 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.54 -42.63 90.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 t -64.57 -43.57 93.46 Favored 'General case' 0 C--N 1.316 -0.871 0 O-C-N 124.016 0.823 . . . . 0.0 111.074 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -58.5 -41.68 85.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.291 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.6 p -109.16 44.72 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.068 0.461 . . . . 0.0 110.72 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -101.13 107.86 19.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.771 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.408 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . . . -86.07 -14.75 43.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.76 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 60' ' ' ASN . 2.9 m-20 -121.43 14.37 11.14 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.53 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.54 26.79 0.01 OUTLIER Glycine 0 C--N 1.343 0.931 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' A' ' 58' ' ' ASP . 19.5 p-10 -82.23 -33.2 29.39 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.795 -178.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.52 9.97 24.26 Favored Glycine 0 N--CA 1.466 0.674 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.524 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 7.1 p -138.53 156.17 47.75 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.915 0.388 . . . . 0.0 110.39 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.7 mt -95.02 123.86 47.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.279 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -86.64 159.92 19.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.916 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -45.82 -51.62 12.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 110.497 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -60.11 -37.3 79.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.881 0.372 . . . . 0.0 110.152 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.408 ' OE2' ' HB3' ' A' ' 57' ' ' ALA . 98.0 mt-10 -71.5 -49.58 39.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.799 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -56.78 -44.45 81.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.145 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.527 ' O ' HD23 ' A' ' 69' ' ' LEU . 5.6 tt -61.28 -50.85 71.37 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.552 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.4 m -62.38 -43.54 98.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.06 0.457 . . . . 0.0 110.825 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.8 tt -55.21 -52.82 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 -178.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -37.52 81.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.925 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.08 -28.16 37.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.572 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -71.84 -53.0 14.65 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.998 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 76' ' ' VAL . 1.7 tttp -43.85 -82.29 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.6 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.505 ' C ' ' O ' ' A' ' 75' ' ' LYS . 21.7 t -4.89 119.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 O-C-N 124.846 1.341 . . . . 0.0 111.201 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.481 ' HB3' ' H ' ' A' ' 78' ' ' ASP . 3.3 mmtm 171.8 -117.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.507 0.504 . . . . 0.0 109.654 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 80' ' ' ASP . 64.5 t0 -173.48 -92.17 0.01 OUTLIER 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 3.1 p 63.74 -57.5 0.2 Allowed 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.256 0.348 . . . . 0.0 110.997 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 78' ' ' ASP . 94.5 m-20 -90.0 108.72 19.89 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.31 0.576 . . . . 0.0 110.664 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.07 -55.61 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.224 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 80.2 mm-40 -55.19 -22.86 19.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -77.12 -60.44 2.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -66.94 -35.11 79.24 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.684 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.565 HD21 HG22 ' A' ' 142' ' ' VAL . 12.2 tp -65.89 -40.64 91.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.082 0.468 . . . . 0.0 110.968 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 69.0 mmtt -82.6 -47.34 12.21 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.052 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -57.8 -42.41 84.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.091 0.472 . . . . 0.0 109.814 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.75 -55.02 38.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.707 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -62.64 -27.91 69.54 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.411 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.517 ' HA ' HE22 ' A' ' 96' ' ' GLN . 87.4 tttt -65.11 -41.7 94.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.8 t -76.31 -44.86 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.013 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.4 -48.87 79.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.141 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.579 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 39.2 t0 -85.5 60.49 6.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.732 -0.387 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -41.33 -56.96 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.444 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.475 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -66.96 -6.56 17.26 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.802 -179.301 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' A' ' 93' ' ' ASP . 99.6 mm-40 43.96 48.62 7.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.685 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -87.78 -3.46 58.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.357 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.97 -0.75 60.72 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 13.3 m-85 -144.19 149.06 35.82 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 120.669 0.271 . . . . 0.0 110.601 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.0 mt -95.41 111.36 25.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.69 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.7 m -84.53 147.96 26.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.74 45.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.369 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.3 t -58.61 -41.67 86.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.387 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.475 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 51.4 mt-10 -65.05 -51.65 60.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.422 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.7 tp -66.78 -27.16 67.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.379 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.522 ' NH2' ' OD1' ' A' ' 118' ' ' ASP . 72.9 ttt180 -80.44 -42.17 23.14 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -57.86 -50.0 74.77 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.922 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 109' ' ' MET . 47.2 t -62.67 -63.06 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.716 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' VAL . 5.4 tpt -32.85 -72.85 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.038 0.447 . . . . 0.0 111.38 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.615 HG23 ' N ' ' A' ' 111' ' ' ASN . 19.6 tt -52.42 -45.6 45.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.921 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.615 ' N ' HG23 ' A' ' 110' ' ' ILE . 47.7 t30 -50.33 -8.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.719 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' A' ' 110' ' ' ILE . 70.2 mt -105.65 -157.46 0.61 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.208 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -97.64 52.42 1.32 Allowed Glycine 0 CA--C 1.52 0.37 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.401 ' OE1' ' CE ' ' A' ' 109' ' ' MET . 39.5 tt0 -159.08 111.5 2.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.471 ' C ' HD22 ' A' ' 116' ' ' LEU . 64.1 mttp -106.69 109.46 21.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.847 0.356 . . . . 0.0 111.356 -179.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.491 HD12 ' CB ' ' A' ' 120' ' ' GLU . 4.1 mm? -115.08 140.85 48.72 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.649 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.446 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 68.6 p -63.06 170.82 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.029 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.522 ' OD1' ' NH2' ' A' ' 106' ' ' ARG . 99.1 m-20 -67.68 -23.74 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.3 mp0 -70.47 -45.08 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.755 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 6.9 mp0 -70.2 -43.77 70.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.433 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.39 -46.9 95.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.194 0.521 . . . . 0.0 110.144 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -65.53 -31.12 72.01 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.096 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -61.82 -55.18 32.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.429 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.608 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 11.6 ttp -56.1 -43.43 78.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.342 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.9 mm -58.32 -38.27 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.129 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -81.5 -27.37 34.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.987 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -85.47 -65.93 0.96 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.931 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.417 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -46.52 -37.3 7.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.527 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.486 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 51.1 t0 -76.44 122.11 24.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.005 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 130' ' ' LEU . 3.8 mm? -66.2 -48.52 70.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.665 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 11.9 p-10 -97.59 -2.35 41.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.486 ' O ' ' OD2' ' A' ' 129' ' ' ASP . . . 61.81 -117.39 11.38 Favored Glycine 0 C--O 1.223 -0.54 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 2.5 m-20 80.78 -19.16 0.45 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.785 0.326 . . . . 0.0 110.437 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.53 7.57 53.71 Favored Glycine 0 N--CA 1.464 0.533 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.48 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 13.2 mt-30 -147.83 149.21 31.89 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.999 0.428 . . . . 0.0 110.43 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.9 t -116.85 126.07 74.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.15 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.929 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.555 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 17.0 t-20 -87.49 154.63 20.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.656 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.43 ' CZ ' HG21 ' A' ' 142' ' ' VAL . 53.2 t80 -47.08 -43.77 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.258 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -59.99 -49.38 77.9 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.442 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.454 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 92.4 mt-10 -61.72 -39.68 92.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.942 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -61.37 -48.4 81.42 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.565 HG22 HD21 ' A' ' 85' ' ' LEU . 38.2 t -58.96 -46.89 91.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.081 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -61.08 -32.07 71.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.0 tpt -71.24 -35.03 71.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 110.929 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.0 mmm -75.42 -24.36 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.149 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.6 mtp . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 121.071 0.462 . . . . 0.0 110.789 179.675 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.463 ' NH1' ' NH2' ' B' ' 24' ' ' ARG . 47.2 ptt85 -60.67 -39.14 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.478 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.24 -38.56 90.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.345 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -59.8 -44.57 93.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.099 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.608 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 3.4 m95 -59.96 -50.07 75.2 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.226 0.536 . . . . 0.0 110.019 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.463 ' NH2' ' NH1' ' B' ' 20' ' ' ARG . 87.9 mtm180 -65.8 -36.28 83.06 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.929 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 60.9 m -60.45 -45.09 94.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.145 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.455 ' O ' HG23 ' B' ' 30' ' ' VAL . 85.9 p -59.31 -44.84 92.51 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.088 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 97.4 t -68.43 -42.33 83.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.086 0.469 . . . . 0.0 110.327 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 37.9 t -62.53 -42.64 99.66 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.824 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.81 -41.76 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 26' ' ' SER . 53.6 t -59.26 -42.19 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.475 ' HD3' ' H ' ' A' ' 77' ' ' LYS . 18.8 ttmt -59.24 -43.46 92.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.517 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -65.23 -41.17 94.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.331 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.598 ' O ' ' N ' ' B' ' 35' ' ' ARG . 58.2 ttp180 -68.14 -46.42 70.86 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.526 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 55.79 -73.91 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 123.394 0.434 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.598 ' N ' ' O ' ' B' ' 33' ' ' ARG . 64.9 ttt180 69.39 -37.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.567 0.542 . . . . 0.0 110.222 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.526 ' H ' ' C ' ' B' ' 34' ' ' ALA . 71.1 ttt180 -92.99 -10.64 35.58 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.163 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.516 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.5 m-85 70.44 64.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.146 0.498 . . . . 0.0 110.155 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.479 ' HB3' ' HZ1' ' A' ' 75' ' ' LYS . 76.4 mtp85 -51.38 -41.72 60.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.025 0.44 . . . . 0.0 110.351 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . 0.497 ' SD ' ' C ' ' B' ' 39' ' ' MET . 0.4 OUTLIER -63.77 -65.04 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 -179.327 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.425 HD13 HD11 ' A' ' 32' ' ' LEU . 96.0 mt -63.03 -43.27 98.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.717 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 96.2 p -54.91 -42.41 72.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.18 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -65.23 -40.98 94.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.401 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.412 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 C--O 1.224 -0.255 0 CA-C-O 120.713 0.292 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.415 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 38.9 mp0 -58.22 -22.11 50.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.509 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -56.6 -58.48 7.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.231 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.48 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -47.15 -41.8 18.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -179.812 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.48 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 4.8 mm -66.07 -42.56 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.229 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.8 t -59.02 -48.25 87.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.978 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -57.9 -53.73 54.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.123 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -60.38 -42.89 96.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.194 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -64.99 -37.13 86.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.652 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -58.54 -51.45 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.191 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.34 89.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.293 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -60.13 -49.79 76.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.39 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.92 -32.44 75.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.607 ' O ' HD23 ' A' ' 18' ' ' LEU . 4.0 tt -64.64 -51.93 60.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.536 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CE2' ' CD1' ' B' ' 37' ' ' PHE . 0.9 OUTLIER -52.02 -25.91 9.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 -179.36 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 35.2 t0 -109.71 89.91 3.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.418 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.421 ' NZ ' HG22 ' A' ' 35' ' ' VAL . 44.4 mttp -63.39 -29.24 70.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.13 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.585 ' O ' ' C ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -97.91 31.98 2.51 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 -179.617 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.585 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.46 66.56 0.01 OUTLIER Glycine 0 N--CA 1.469 0.835 0 O-C-N 123.584 0.553 . . . . 0.0 111.778 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 22' ' ' ASP . 74.6 m-20 -88.61 -24.52 22.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.73 9.03 23.67 Favored Glycine 0 N--CA 1.465 0.616 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 23.4 p -169.58 124.8 0.83 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.789 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.8 mt -76.25 131.29 35.16 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 29' ' ' VAL . 57.5 m -106.48 156.74 18.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.611 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.444 ' N ' HG22 ' A' ' 28' ' ' THR . 74.2 t -51.35 -43.56 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.217 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.46 -59.52 5.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.423 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 82.0 mt-10 -55.38 -42.05 73.48 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.0 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.575 HD12 ' CD1' ' A' ' 19' ' ' PHE . 7.3 tp -62.97 -36.48 83.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.237 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.64 87.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.9 m -58.59 -47.28 84.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.521 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.421 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 80.6 t -62.44 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.723 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.8 mt -61.54 -44.43 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.738 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -63.68 -32.6 74.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.085 0.469 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 p -54.43 -17.67 3.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.496 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.458 ' C ' ' H ' ' A' ' 41' ' ' GLN . 5.8 mp -89.32 24.05 2.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.545 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 73.25 -16.4 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.514 0.509 . . . . 0.0 110.743 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' H ' ' C ' ' A' ' 39' ' ' LEU . 99.2 mm-40 -72.07 162.32 29.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.551 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.705 ' H ' HD22 ' A' ' 42' ' ' ASN . 0.0 OUTLIER -149.14 67.02 8.91 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.602 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -79.07 165.16 24.24 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.846 2.364 . . . . 0.0 111.932 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 47' ' ' GLU . 5.1 t -87.09 149.14 24.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.474 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.25 -20.7 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.747 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -62.86 -44.36 96.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.442 ' H ' HG23 ' A' ' 44' ' ' THR . 96.0 mt-10 -71.07 -26.58 63.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.704 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.5 mt -80.56 -44.77 18.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.086 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.74 -29.15 65.31 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.869 0.366 . . . . 0.0 110.142 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.86 -56.76 6.21 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 52' ' ' ILE . 0.5 OUTLIER -63.16 -33.77 76.18 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.884 0.373 . . . . 0.0 110.857 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.416 ' N ' ' HG3' ' A' ' 51' ' ' MET . 84.0 mt -74.76 -25.04 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.327 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 55' ' ' VAL . 46.0 t -89.06 -30.31 18.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.54 -0.89 0.19 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.483 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 57' ' ' ALA . 2.0 t -139.8 -52.01 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 66.7 t0 -48.89 87.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.57 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -42.49 -73.63 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.82 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.488 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.8 p30 -60.05 4.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 27.65 64.32 0.09 OUTLIER Glycine 0 C--N 1.341 0.828 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' OD1' ' O ' ' A' ' 62' ' ' THR . 48.0 p30 -102.16 27.78 6.38 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.758 0.314 . . . . 0.0 110.366 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 45.79 16.54 0.13 Allowed Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.475 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 52.8 p -137.75 134.11 34.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.771 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.5 mt -104.31 129.31 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.346 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -93.41 158.74 15.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.566 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -44.52 -49.45 10.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.444 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.9 -37.16 81.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.263 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.547 ' O ' HD13 ' A' ' 71' ' ' LEU . 95.4 mt-10 -73.54 -44.96 56.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.593 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -58.77 -43.71 90.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.231 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.7 tt -61.84 -45.57 93.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.017 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 p -67.72 -42.41 81.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.787 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 67' ' ' GLU . 7.2 mp -64.08 -43.2 96.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.0 tpt -63.79 -48.85 75.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.546 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -65.47 -42.27 92.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.563 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -65.73 12.39 0.06 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.546 ' H ' ' C ' ' A' ' 73' ' ' ALA . 2.9 ttmp? -159.03 48.35 0.33 Allowed 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 119.302 -0.38 . . . . 0.0 110.263 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 77' ' ' LYS . 1.0 OUTLIER 164.74 145.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.049 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 152.63 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.343 0.308 0 O-C-N 124.459 1.1 . . . . 0.0 109.373 178.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.495 ' O ' ' OG1' ' A' ' 79' ' ' THR . 72.6 m-20 -152.67 -70.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.816 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 78' ' ' ASP . 7.4 p 62.61 -139.74 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.437 0.461 . . . . 0.0 111.424 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.66 155.81 35.4 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.818 0.818 . . . . 0.0 110.984 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.78 -52.26 9.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.808 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.92 -21.82 63.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.712 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -77.09 -52.67 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -73.69 -34.07 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.639 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.3 -32.61 70.45 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.616 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -84.42 -45.24 12.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.594 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.446 ' OE1' ' NH2' ' B' ' 38' ' ' ARG . 73.1 mm-40 -60.32 -42.01 94.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.181 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.95 -54.65 38.8 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.55 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 56.1 t80 -58.2 -33.2 69.03 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.168 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.546 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 62.5 tttp -63.09 -37.98 89.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.48 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -75.34 -54.45 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 0.0 110.694 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -51.59 -45.86 63.32 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.703 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.564 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 12.3 m-20 -84.24 60.66 6.08 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -40.95 -58.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.392 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 9.5 p30 -69.0 -3.73 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.144 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.564 ' NE2' ' O ' ' A' ' 93' ' ' ASP . 98.5 mm-40 46.07 48.97 12.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.71 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.51 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 30.6 p30 -86.3 -4.37 59.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.496 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 99' ' ' TYR . . . 94.71 -3.05 67.6 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 4.8 m-85 -141.66 147.49 37.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.558 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 mt -93.27 113.88 28.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.272 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -92.35 153.03 19.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.403 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.35 -43.12 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.397 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.8 t -59.54 -42.42 92.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.285 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 65.9 mt-10 -66.22 -54.14 28.69 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.119 0.485 . . . . 0.0 110.583 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.538 HD21 ' CE ' ' A' ' 124' ' ' MET . 46.6 tp -61.67 -25.34 67.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.428 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.425 ' O ' HG22 ' A' ' 110' ' ' ILE . 80.0 ttt180 -78.95 -47.92 15.48 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.37 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -51.62 -53.74 35.28 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.689 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 109' ' ' MET . 38.7 t -60.51 -66.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.379 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.491 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.4 tpt -29.77 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.863 0.363 . . . . 0.0 111.251 -178.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.609 HG23 ' N ' ' A' ' 111' ' ' ASN . 9.5 tp -49.26 -45.96 18.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.015 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.609 ' N ' HG23 ' A' ' 110' ' ' ILE . 64.3 t30 -50.5 -8.47 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.617 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.525 ' H ' ' C ' ' A' ' 110' ' ' ILE . 72.9 mt -93.52 -112.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.622 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -155.05 48.89 0.49 Allowed Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -135.8 126.17 26.65 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.798 0.333 . . . . 0.0 110.531 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -89.6 98.74 11.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.367 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 55.9 mt -126.07 137.22 53.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.726 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.8 p -81.51 171.91 14.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.473 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 42.2 p-10 -62.65 -25.69 68.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.416 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.5 mt-10 -69.69 -42.41 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.078 0.465 . . . . 0.0 110.665 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.99 -42.48 66.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.744 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.34 -51.73 55.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.029 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.81 -29.95 70.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.122 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -66.11 -53.81 33.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.517 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.538 ' CE ' HD21 ' A' ' 105' ' ' LEU . 1.7 tmm? -52.31 -57.66 9.08 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 120.893 0.377 . . . . 0.0 111.088 -178.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.432 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 11.2 tt -52.52 -40.35 32.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.558 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.428 ' N ' HG23 ' A' ' 125' ' ' ILE . 90.8 mttt -64.41 -39.23 93.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.646 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.86 -45.91 66.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.559 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -58.57 -36.42 73.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.271 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 43.8 m-20 -67.84 105.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.03 0.443 . . . . 0.0 110.19 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.2 mt -76.97 -39.87 48.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.188 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.433 ' OD1' ' OD2' ' A' ' 133' ' ' ASP . 16.1 p30 -93.47 -1.57 55.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.052 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.422 ' O ' ' OD1' ' A' ' 133' ' ' ASP . . . 56.04 104.73 0.01 OUTLIER Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.433 ' OD2' ' OD1' ' A' ' 131' ' ' ASP . 31.6 m-20 -148.4 12.4 0.92 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.756 0.313 . . . . 0.0 110.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.02 -5.32 13.7 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -153.39 132.99 12.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.137 0.494 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.9 t -80.07 126.91 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.521 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -90.58 159.69 16.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.6 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -51.14 -40.24 58.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.379 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -62.78 -50.64 70.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.892 0.377 . . . . 0.0 110.549 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.55 -37.73 87.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.171 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.542 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 64.4 t80 -60.57 -46.72 89.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.288 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.86 -45.63 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.162 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -63.57 -34.98 79.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.938 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -66.53 -30.35 70.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.542 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 23.5 mtp -90.66 -18.86 24.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.474 -178.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 39.3 mtt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.837 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.624 ' HE ' ' NH2' ' B' ' 24' ' ' ARG . 41.8 ttp-105 -60.76 -47.09 87.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -71.32 -37.37 71.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -45.61 92.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.654 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.559 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 2.7 m95 -65.06 -47.17 78.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.113 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.624 ' NH2' ' HE ' ' B' ' 20' ' ' ARG . 88.6 mtm180 -65.66 -34.84 79.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.92 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 40.9 t -60.74 -46.82 88.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.509 ' O ' HG23 ' B' ' 30' ' ' VAL . 39.2 t -61.58 -41.25 97.15 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.345 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t -66.19 -46.0 88.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.757 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.0 m -69.39 -43.12 74.15 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.007 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.59 -42.4 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 26' ' ' SER . 38.9 t -64.0 -43.16 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.185 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -62.96 -45.39 92.67 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.567 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -65.94 -36.83 84.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.217 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' B' ' 34' ' ' ALA . 59.0 ttm-85 -60.96 -54.88 39.55 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.009 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.518 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 25.72 50.34 0.02 OUTLIER 'General case' 0 C--N 1.343 0.291 0 O-C-N 123.628 0.58 . . . . 0.0 111.146 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -58.56 -2.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.039 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.518 ' H ' ' C ' ' B' ' 34' ' ' ALA . 33.6 mmt180 -111.21 0.87 16.92 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.6 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER 54.01 58.06 5.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.364 179.176 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.446 ' NH2' ' OE1' ' A' ' 87' ' ' GLU . 53.9 mtp85 -55.47 -31.02 61.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.421 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 33.0 mmm -69.69 -63.14 1.13 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.988 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.33 -42.94 97.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.245 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 16.9 t -57.16 -46.07 83.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.113 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -67.61 -39.86 84.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.504 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 tp . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.48 -179.606 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 t . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.417 0.151 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.2 mt-10 -46.97 -35.24 6.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.14 -44.53 83.9 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -56.03 -53.8 52.58 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.409 ' HA ' HD13 ' A' ' 9' ' ' ILE . 47.5 mm -58.69 -44.54 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 6' ' ' GLU . 14.0 t -54.84 -48.29 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.742 -0.383 . . . . 0.0 109.99 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -53.51 -50.62 65.02 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -64.66 -42.77 95.17 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.384 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -55.12 -38.49 68.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.794 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -65.43 -48.17 73.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.013 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.81 74.3 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.092 0.473 . . . . 0.0 110.213 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -58.22 -47.88 82.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.313 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.21 -39.95 51.51 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mt -63.93 -41.2 97.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.861 0.363 . . . . 0.0 110.679 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.502 ' CZ ' ' CD1' ' B' ' 37' ' ' PHE . 16.7 m-85 -63.97 -42.59 97.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.209 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 24' ' ' ASP . 46.4 t0 -100.66 76.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.768 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -52.87 -28.38 22.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.052 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.603 ' O ' ' C ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -97.67 38.17 1.31 Allowed 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.593 -179.66 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.603 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.74 67.98 0.01 OUTLIER Glycine 0 CA--C 1.525 0.677 0 O-C-N 123.399 0.437 . . . . 0.0 112.198 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -95.21 -25.94 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.414 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 104.67 13.64 25.4 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.561 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 18.7 m -161.72 165.0 28.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 110.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -116.06 118.02 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.833 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.604 ' HA ' HG22 ' A' ' 62' ' ' THR . 8.6 m -97.42 151.96 19.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.5 t -49.99 -45.83 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.256 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -61.0 -54.73 41.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.01 -43.8 78.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.619 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.88 -37.05 80.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.421 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.5 91.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.198 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.3 m -58.54 -45.99 87.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.962 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.45 -44.53 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.349 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.486 ' CD1' HD11 ' A' ' 48' ' ' LEU . 92.4 mt -62.02 -42.47 95.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.198 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -59.89 -34.16 72.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.232 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -57.77 -27.25 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.817 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 mp -78.6 11.49 2.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 69.83 40.96 1.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.786 0.679 . . . . 0.0 110.789 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -165.01 128.63 2.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -126.7 84.07 63.67 Favored Pre-proline 0 C--N 1.333 -0.152 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.737 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -56.6 168.14 2.42 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.905 2.403 . . . . 0.0 111.87 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.458 HG23 ' H ' ' A' ' 47' ' ' GLU . 5.1 t -66.0 141.95 58.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.69 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.62 -39.27 61.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.351 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.496 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 2.2 tm-20 -48.69 -43.87 37.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.445 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.503 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.3 tm-20 -62.19 -33.28 74.24 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.206 0.527 . . . . 0.0 110.487 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 36' ' ' ILE . 4.1 mm? -78.84 -35.07 44.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.083 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -62.1 -48.19 81.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.86 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 54' ' ' GLU . 13.8 p-10 -67.05 -45.87 76.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.436 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.4 ttm -46.85 -54.75 9.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.709 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.53 -41.12 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.271 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.1 t -72.09 -18.91 61.88 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.715 0.634 . . . . 0.0 110.7 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 50' ' ' ASP . 82.2 tt0 -78.72 -8.35 58.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.127 0.489 . . . . 0.0 110.429 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 t -146.45 40.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 14.1 t0 -105.81 103.3 12.77 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.42 -8.2 53.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.258 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 48.7 p30 -127.2 10.27 6.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.737 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 42.43 47.99 5.73 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' C ' ' N ' ' A' ' 62' ' ' THR . 52.5 p-10 -106.53 15.41 25.9 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.652 0.263 . . . . 0.0 110.582 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 47.15 15.78 0.22 Allowed Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.604 HG22 ' HA ' ' A' ' 28' ' ' THR . 77.2 p -139.02 145.65 39.89 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.964 0.412 . . . . 0.0 110.864 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.2 mt -96.94 125.47 49.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 120.957 0.408 . . . . 0.0 110.278 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -82.78 162.73 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -51.27 -48.09 62.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.389 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.07 -38.4 86.08 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.167 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -70.6 -52.56 20.66 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -53.85 -42.92 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.518 ' O ' HD23 ' A' ' 69' ' ' LEU . 2.8 tt -57.56 -58.63 7.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.371 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.4 t -64.92 -43.65 92.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.676 ' C ' HD23 ' A' ' 71' ' ' LEU . 6.6 tt -52.52 -58.83 5.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.5 tpt -67.72 -45.04 76.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.809 0.338 . . . . 0.0 111.319 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.63 -25.8 63.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.882 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' VAL . 25.5 mmtp -94.53 -59.73 1.87 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.749 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -55.21 77.88 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.829 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.578 HG12 ' N ' ' A' ' 77' ' ' LYS . 59.3 t -134.22 162.45 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.578 ' N ' HG12 ' A' ' 76' ' ' VAL . 28.5 ttpt 158.62 -62.75 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.16 0 O-C-N 123.466 0.479 . . . . 0.0 110.52 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 71.78 -59.36 0.55 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.672 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 79' ' ' THR . 95.9 m 57.18 51.82 9.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.928 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -161.45 120.89 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.84 -52.34 9.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.043 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -58.7 -25.25 62.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.611 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -79.46 -53.04 7.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.308 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.52 -35.98 75.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.006 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 98.1 mt -73.66 -29.24 62.2 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.361 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -84.68 -50.99 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.361 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.8 pp20? -59.01 -40.69 85.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.912 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.45 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -62.14 -55.31 30.06 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -58.7 -37.07 75.3 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.05 0.453 . . . . 0.0 110.144 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.464 ' NZ ' ' NE2' ' A' ' 96' ' ' GLN . 1.4 mmmp? -58.14 -37.99 75.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.6 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 87' ' ' GLU . 70.2 t -73.58 -49.68 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.234 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 3.0 m-30 -58.04 -47.15 83.97 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.909 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 96' ' ' GLN . 39.0 t0 -88.79 59.47 5.09 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -39.3 -59.72 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.061 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 53.8 p30 -64.06 -7.71 9.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.234 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 93' ' ' ASP . 76.3 mt-30 45.97 58.9 4.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.336 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.426 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 26.8 p-10 -100.16 -5.7 27.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.369 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.485 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.88 0.81 48.85 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 24.4 m-85 -145.34 149.87 35.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.878 0.37 . . . . 0.0 110.631 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 mt -95.79 115.25 34.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.04 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.6 t -81.86 145.68 30.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.448 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.35 -44.24 65.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.546 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.7 m -59.32 -46.4 88.7 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.95 -46.12 90.43 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.073 0.464 . . . . 0.0 110.304 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.507 HD23 HD11 ' A' ' 125' ' ' ILE . 54.3 tp -70.75 -23.98 62.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.315 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -63.57 -45.48 90.27 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.272 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.728 ' CE1' HD21 ' A' ' 111' ' ' ASN . 2.0 t60 -69.66 -58.11 4.33 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.825 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 108' ' ' VAL . 40.8 t -46.19 -16.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.317 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.47 ' N ' ' C ' ' A' ' 107' ' ' HIS . 6.9 tpt -91.45 -76.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.534 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.4 tt -51.26 -32.16 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.271 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.728 HD21 ' CE1' ' A' ' 107' ' ' HIS . 10.3 m120 -52.88 -14.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.668 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.457 HD22 ' CG2' ' B' ' 29' ' ' ILE . 69.9 mt -96.21 8.2 44.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.621 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.61 36.5 26.01 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -121.63 128.44 51.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.287 0.565 . . . . 0.0 110.62 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.542 ' C ' HD22 ' A' ' 116' ' ' LEU . 98.4 mttt -102.62 92.34 4.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.038 0.446 . . . . 0.0 110.254 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.542 HD22 ' C ' ' A' ' 115' ' ' LYS . 4.4 mm? -108.17 128.36 54.64 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.9 p -53.47 151.21 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.304 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 42.3 p-10 -59.12 -30.19 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.443 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.462 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.2 mt-10 -64.92 -47.74 76.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.456 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HG2' HD12 ' A' ' 116' ' ' LEU . 40.5 tp10 -62.08 -46.98 86.69 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.239 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.6 t -63.43 -45.43 97.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.082 0.468 . . . . 0.0 110.319 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -59.69 -36.68 76.97 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.395 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -61.94 -53.18 59.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.331 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.7 ttp -50.4 -40.22 49.29 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.545 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.507 HD11 HD23 ' A' ' 105' ' ' LEU . 30.8 mm -64.08 -45.85 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -76.74 -24.98 53.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -82.71 -57.36 3.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.774 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.441 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -46.35 -44.25 16.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.299 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 20.6 t0 -88.91 120.02 29.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.254 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 130' ' ' LEU . 10.5 mp -57.96 -43.68 86.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.435 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 1.1 p-10 -80.65 -14.67 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.718 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.563 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 65.37 -101.99 0.62 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 0.0 OUTLIER 69.78 -23.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.776 0.322 . . . . 0.0 110.612 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 104.93 11.74 29.44 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -147.65 153.11 38.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.889 0.376 . . . . 0.0 110.545 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.5 t -113.88 121.04 65.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.103 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.805 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -84.84 155.82 21.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -50.73 -44.58 58.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.135 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.73 -39.42 94.26 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.238 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.431 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 94.8 mt-10 -67.08 -37.28 83.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.121 0.486 . . . . 0.0 110.489 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.591 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 53.2 t80 -70.21 -47.63 60.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.4 t -55.66 -56.04 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.034 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 144' ' ' MET . 36.7 pttt -60.8 -37.58 82.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.069 0.461 . . . . 0.0 110.545 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 144' ' ' MET . 1.8 tmt? -71.18 -35.07 71.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.289 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.591 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 4.7 tpt -67.98 -27.4 66.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.896 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.446 ' O ' ' O ' ' A' ' 145' ' ' MET . 17.6 mmt . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.643 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -60.4 -43.59 96.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -67.49 -38.5 84.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.346 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -61.04 -44.98 96.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.441 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 2.0 m95 -62.73 -47.64 82.69 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -65.94 -35.17 79.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.951 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 38.3 t -60.97 -44.41 97.38 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.033 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.657 ' O ' HG23 ' B' ' 30' ' ' VAL . 89.6 p -61.97 -43.68 98.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.324 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.1 t -68.41 -43.66 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.618 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.0 t -66.96 -46.5 74.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.756 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.457 ' CG2' HD22 ' A' ' 112' ' ' LEU . 78.3 mt -61.98 -41.65 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.159 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 26' ' ' SER . 25.5 t -58.76 -40.88 80.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.716 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -60.69 -46.13 91.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.909 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.34 -38.57 78.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.332 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' B' ' 34' ' ' ALA . 72.0 ttt180 -70.38 -46.85 63.23 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 33.37 81.29 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -67.35 -16.07 64.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.908 0.385 . . . . 0.0 110.304 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.453 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 80.0 mtt85 -112.06 -0.47 15.65 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.639 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.502 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 1.3 m-85 64.88 45.6 3.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.742 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' B' ' 37' ' ' PHE . 17.9 ptm180 -37.24 -34.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.879 0.371 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . 0.433 ' SD ' ' C ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -69.11 -72.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.018 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.65 -29.63 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.264 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -61.72 -45.75 92.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.092 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -65.52 -41.05 93.56 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.43 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.422 -179.604 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.846 0.355 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -65.6 -22.13 66.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.425 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -53.17 -30.91 39.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.288 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -75.49 -48.74 21.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.041 0.448 . . . . 0.0 110.068 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.7 mm -63.67 -38.55 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.153 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.1 t -61.89 -48.87 86.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.397 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -53.6 -49.58 67.49 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.05 0.453 . . . . 0.0 110.038 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -64.23 -36.97 85.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.044 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -60.98 -38.26 85.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.248 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -63.98 -48.83 74.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.126 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.53 85.34 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.621 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.53 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 61.5 t80 -52.39 -48.54 65.58 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.05 -31.5 61.71 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -50.27 74.23 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.394 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.23 -33.35 73.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.29 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.53 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 37.2 m-20 -93.0 83.54 4.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -58.18 -43.07 87.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.129 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.561 ' O ' ' C ' ' A' ' 23' ' ' GLY . 51.7 p-10 -92.27 36.08 1.0 Allowed 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.27 63.73 0.01 OUTLIER Glycine 0 N--CA 1.473 1.134 0 O-C-N 124.152 0.908 . . . . 0.0 111.461 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 16.1 p-10 -86.75 -26.52 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.503 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.55 10.46 23.35 Favored Glycine 0 N--CA 1.466 0.655 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.48 ' SG ' ' OD2' ' A' ' 24' ' ' ASP . 20.8 p -167.99 126.67 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.76 0.314 . . . . 0.0 111.01 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 84.5 mt -76.2 130.17 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.01 -170.8 2.04 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 t -81.85 -44.86 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.512 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.68 -44.76 96.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.54 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -62.44 -45.56 92.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.429 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.0 tp -59.6 -40.51 87.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.105 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.29 -39.95 78.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 m -60.82 -48.7 80.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.51 -46.93 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.518 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.93 -43.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -59.13 -34.52 72.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.468 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.5 p -93.59 11.55 28.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.482 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -103.31 14.92 30.46 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.103 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 1.9 m-20 78.69 20.66 0.8 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.443 0.465 . . . . 0.0 110.674 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -145.05 153.18 41.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.233 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.17 79.42 11.75 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.49 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -79.63 160.99 25.02 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.86 2.373 . . . . 0.0 112.231 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 m -62.66 136.39 57.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.34 -49.69 74.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.55 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.581 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 1.3 mp0 -43.5 -44.17 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 6.8 mp0 -61.63 -51.1 69.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.846 0.355 . . . . 0.0 110.063 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.3 mt -52.5 -53.54 44.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.37 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -53.41 -45.76 69.5 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.29 -40.35 95.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.482 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 27.6 ttp -63.28 -40.07 96.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.478 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.759 ' CD1' HD11 ' A' ' 63' ' ' ILE . 31.5 mm -64.6 -45.22 96.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.598 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -79.0 -12.36 60.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -59.15 -44.72 92.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.805 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.7 t -106.77 -46.02 8.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.746 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -48.52 97.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.672 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.583 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -47.0 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.705 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.536 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.1 p30 -60.35 5.54 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.583 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 17.12 59.88 0.01 OUTLIER Glycine 0 C--N 1.346 1.118 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.764 ' ND2' ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -78.02 -10.81 59.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.648 -0.276 . . . . 0.0 110.476 -178.754 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.668 ' N ' HD22 ' A' ' 60' ' ' ASN . . . 101.43 3.65 53.33 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.764 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 12.7 p -140.66 148.97 41.65 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.91 0.386 . . . . 0.0 110.393 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.759 HD11 ' CD1' ' A' ' 52' ' ' ILE . 65.4 mt -101.47 122.31 53.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.51 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -83.97 161.42 20.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.203 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -52.44 -46.27 66.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.384 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.78 -38.86 83.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.171 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.12 -47.23 52.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.611 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -59.66 -45.98 90.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.258 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.25 -48.03 79.91 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.924 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -63.81 -44.97 91.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.64 -48.14 82.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.576 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.6 tpt -65.35 -42.01 93.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.2 85.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.132 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.29 -61.02 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.35 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -118.15 117.81 30.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.044 HG13 ' H ' ' A' ' 77' ' ' LYS . 2.5 p -113.42 -91.35 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.619 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 1.044 ' H ' HG13 ' A' ' 76' ' ' VAL . 65.0 pttt -52.56 179.89 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.172 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -133.63 15.8 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.638 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 75.1 78.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 0.0 110.705 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -160.98 118.65 2.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.18 0.514 . . . . 0.0 110.506 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.5 13.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.995 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -54.04 -18.87 4.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.098 0.475 . . . . 0.0 110.701 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -81.48 -57.77 3.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -68.29 -35.17 77.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.495 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 mt -69.18 -39.72 78.55 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -84.94 -45.06 12.57 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.481 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.05 -41.21 91.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.85 -54.74 37.99 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.553 ' CZ ' ' OD1' ' A' ' 93' ' ' ASP . 59.3 t80 -57.14 -33.48 67.43 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.287 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -61.7 -39.12 90.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.562 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.8 t -73.48 -43.81 54.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.689 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.502 ' CE1' HG11 ' A' ' 108' ' ' VAL . 43.3 m-85 -59.22 -46.72 87.72 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.113 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.553 ' OD1' ' CZ ' ' A' ' 89' ' ' PHE . 5.4 m-20 -93.24 58.41 2.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.034 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -41.31 -58.44 1.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.285 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.455 ' HB2' HD21 ' A' ' 97' ' ' ASN . 6.9 p30 -70.13 -2.98 14.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.103 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' ASP . 97.0 mt-30 55.9 67.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.013 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.455 HD21 ' HB2' ' A' ' 95' ' ' ASP . 2.6 m120 -102.6 -16.68 16.0 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.654 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 98.01 -2.92 60.09 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.472 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 24.3 m-85 -141.75 146.07 35.56 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mt -91.0 113.75 27.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.284 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 t -90.38 139.36 30.74 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.08 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.469 ' CB ' ' OE2' ' A' ' 122' ' ' GLU . . . -41.61 -41.12 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.1 m -59.34 -46.18 89.32 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.753 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.31 -43.01 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.76 -27.75 64.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.131 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 102' ' ' ALA . 67.3 ttt180 -62.4 -45.84 91.3 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.57 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 109' ' ' MET . 40.1 m80 -69.39 -58.84 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.977 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.502 HG11 ' CE1' ' A' ' 92' ' ' PHE . 75.3 t -45.13 -18.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.58 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 107' ' ' HIS . 4.0 tpt -90.29 -76.95 0.41 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.201 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.5 tt -48.31 -37.06 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.741 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.477 ' N ' HG23 ' A' ' 110' ' ' ILE . 72.5 m-20 -66.54 -26.98 67.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.995 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' A' ' 113' ' ' GLY . 10.8 mp -102.92 76.71 1.5 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.049 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 22.98 55.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 123.784 0.677 . . . . 0.0 111.807 179.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -170.87 101.78 0.23 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.4 ' C ' HD12 ' A' ' 116' ' ' LEU . 66.0 tttm -103.63 112.48 25.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.199 0.523 . . . . 0.0 111.21 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 115' ' ' LYS . 9.8 mp -109.8 132.12 54.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.286 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.434 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 32.6 p -54.2 165.56 0.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.995 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 33.9 p-10 -59.91 -37.19 78.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.4 mt-10 -64.29 -44.29 92.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.588 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -62.92 -43.66 98.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.381 -179.736 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.92 -48.58 87.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.076 0.465 . . . . 0.0 110.435 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.469 ' OE2' ' CB ' ' A' ' 102' ' ' ALA . 80.3 mm-40 -67.69 -34.9 77.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.252 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -64.0 -52.91 57.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.609 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.0 ttp -54.53 -46.9 73.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.405 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.0 mt -62.25 -46.56 96.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.437 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -58.39 -41.57 85.13 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.54 -46.72 58.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.606 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.36 98.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.299 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.555 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 60.2 t0 -68.13 112.75 5.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.273 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 130' ' ' LEU . 9.4 mp -68.52 -37.11 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 132' ' ' GLY . 1.8 p-10 -90.59 -3.35 57.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.012 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 53.54 118.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.555 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 52.3 p30 -172.44 18.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.58 -0.365 . . . . 0.0 110.598 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.48 19.3 62.21 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -152.17 160.94 43.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.544 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.5 t -127.78 126.62 67.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.999 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -90.14 160.31 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.459 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -52.87 -39.47 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.364 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -61.73 -55.37 31.02 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.812 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.438 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 82.2 mt-10 -58.1 -38.32 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.914 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -61.24 -48.07 83.15 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.414 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 34.1 t -58.37 -49.98 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.438 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -64.81 -35.64 81.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.816 0.341 . . . . 0.0 111.296 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -66.55 -28.27 68.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.012 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.4 ttm -91.91 -19.25 22.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.5 mmm . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.943 -179.771 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -64.29 -37.29 86.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.431 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -66.91 -40.97 87.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.468 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -64.29 -39.77 94.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.201 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.44 -48.23 80.59 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -65.61 -35.98 82.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.779 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.1 t -59.9 -44.67 94.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.148 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.777 ' O ' HG23 ' B' ' 30' ' ' VAL . 20.1 m -60.6 -44.51 96.17 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.228 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.34 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.156 0.503 . . . . 0.0 110.353 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -63.52 -50.26 70.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.257 0.551 . . . . 0.0 111.088 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 64.1 mt -64.88 -25.45 37.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.114 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.777 HG23 ' O ' ' B' ' 26' ' ' SER . 25.1 t -68.09 -43.92 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' B' ' 32' ' ' ASN . 28.1 pttt -60.43 -41.62 94.36 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.421 -0.512 . . . . 0.0 109.922 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.455 ' N ' ' HG2' ' B' ' 31' ' ' LYS . 26.0 t-20 -68.25 -37.51 80.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.857 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.575 HH21 ' NH2' ' B' ' 35' ' ' ARG . 52.5 ttt180 -79.65 -3.84 49.02 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.851 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.531 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . -22.77 97.84 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.947 0.403 . . . . 0.0 111.23 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.575 ' NH2' HH21 ' B' ' 33' ' ' ARG . 38.6 ttm180 -83.3 -10.73 58.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.201 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.422 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 6.8 mmp_? -96.41 -1.47 47.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.755 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' B' ' 39' ' ' MET . 0.6 OUTLIER 60.87 43.14 12.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.412 179.513 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -40.94 -27.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.75 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . 0.468 ' SD ' ' C ' ' B' ' 39' ' ' MET . 0.9 OUTLIER -71.16 -70.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.495 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.37 -43.03 98.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.423 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.9 p -53.99 -47.92 70.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.085 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.455 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 59.2 t30 -78.68 -39.82 35.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.683 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.455 ' OXT' ' O ' ' B' ' 42' ' ' ASN . 6.3 tt . . . . . 0 C--O 1.222 -0.363 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.8 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.964 0.412 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 10' ' ' VAL . 93.9 mt-10 -54.35 -22.83 13.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.588 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.74 -27.97 65.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.031 0.443 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -78.27 -53.88 6.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.055 0.455 . . . . 0.0 110.02 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 mm -61.88 -40.03 85.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.657 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 6' ' ' GLU . 25.3 t -58.34 -49.44 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.124 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -54.72 -53.79 50.34 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.613 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -63.23 -42.01 99.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.537 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -59.08 -39.9 83.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.299 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -56.23 -51.49 67.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.3 -47.48 75.52 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.315 0.578 . . . . 0.0 110.205 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -60.38 -46.87 88.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.331 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.13 -39.88 58.48 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.89 -46.12 89.32 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.296 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.7 -40.15 96.24 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.549 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -84.88 71.28 10.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.078 0.466 . . . . 0.0 110.644 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -58.92 -41.23 86.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.524 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' C ' ' A' ' 23' ' ' GLY . 50.3 p-10 -91.89 33.79 1.03 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.65 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 17.74 57.53 0.01 OUTLIER Glycine 0 C--N 1.349 1.254 0 O-C-N 123.768 0.667 . . . . 0.0 112.083 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.0 p-10 -86.93 -25.76 24.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.274 0.559 . . . . 0.0 110.818 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 113.2 -26.54 10.31 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.427 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 12.8 m -128.83 175.84 8.31 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 117.283 0.542 . . . . 0.0 110.163 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -119.84 126.48 75.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 m -102.69 152.75 20.85 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.918 0.39 . . . . 0.0 110.913 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.0 t -47.49 -43.99 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.046 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.93 -51.11 70.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.91 -43.74 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.02 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.654 HD22 HD11 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -61.53 -40.32 94.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.036 179.379 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.98 90.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.735 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 m -60.99 -51.65 68.36 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.956 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -62.26 -46.8 95.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.437 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.654 HD11 HD22 ' A' ' 32' ' ' LEU . 70.9 mt -61.64 -43.03 96.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.465 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -55.88 -38.19 69.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.113 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -91.64 22.02 4.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -127.46 3.19 6.24 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.673 0.273 . . . . 0.0 110.749 179.581 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.419 ' CG ' ' H ' ' A' ' 41' ' ' GLN . 0.6 OUTLIER 179.28 -80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.287 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.419 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 56.4 tt0 -154.88 -88.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.764 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 43' ' ' PRO . 20.0 t30 179.44 87.75 0.18 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.503 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.485 ' O ' ' O ' ' A' ' 42' ' ' ASN . 51.0 Cg_exo -52.92 -151.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.732 2.288 . . . . 0.0 111.851 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.495 HG22 ' H ' ' A' ' 46' ' ' GLU . 49.4 m -109.08 137.31 47.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.045 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.645 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 1.3 pm0 -59.4 -40.62 87.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.576 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' H ' HG22 ' A' ' 44' ' ' THR . 80.7 tt0 -60.14 -40.36 89.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.412 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.72 -32.75 74.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.501 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.56 -55.63 5.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.71 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -53.3 -37.98 62.74 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' GLU . 27.3 t70 -65.21 -47.1 78.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.3 ttm -58.59 -46.01 87.87 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.945 0.402 . . . . 0.0 110.605 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.723 HD12 HD11 ' A' ' 63' ' ' ILE . 47.2 mm -64.9 -40.24 88.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.8 p -79.16 -22.73 44.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.607 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' ASP . 45.0 tp10 -57.15 -44.59 83.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.88 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' A' ' 57' ' ' ALA . 95.6 t -104.8 -57.17 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.277 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -43.08 89.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.753 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -46.74 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.325 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.522 ' O ' ' C ' ' A' ' 59' ' ' GLY . 5.6 p30 -59.9 1.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.066 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 16.86 60.99 0.01 OUTLIER Glycine 0 C--N 1.347 1.175 0 O-C-N 123.999 0.812 . . . . 0.0 111.276 179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.778 ' ND2' ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -75.91 -10.67 59.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.409 . . . . 0.0 110.678 -179.11 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.682 ' N ' HD22 ' A' ' 60' ' ' ASN . . . 103.06 1.89 48.52 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.778 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 58.7 p -139.71 148.31 42.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.723 HD11 HD12 ' A' ' 52' ' ' ILE . 33.5 mt -100.29 124.24 53.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.945 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -84.75 161.01 20.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.175 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -50.93 -48.29 60.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.093 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -60.62 -39.01 86.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.49 -52.35 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.092 0.472 . . . . 0.0 110.542 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -55.28 -40.02 70.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.563 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -60.1 -60.61 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.605 -179.592 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.8 m -52.32 -39.58 60.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.292 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -59.69 -56.79 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.538 -178.745 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.1 mmt -67.11 -41.68 85.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.061 0.458 . . . . 0.0 111.059 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.52 80.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.343 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -75.18 -57.31 3.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -79.01 122.19 25.87 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.615 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 76' ' ' VAL . 47.7 t -153.16 77.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.45 178.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 76' ' ' VAL . 33.5 ttmt -27.65 87.76 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.506 0.504 . . . . 0.0 111.39 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 76' ' ' VAL . 34.5 t70 -117.67 15.89 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.057 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.9 p -114.93 59.23 0.7 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.029 0.442 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.614 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 1.4 p-10 -165.64 89.48 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.94 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.32 -58.41 8.11 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.77 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 85' ' ' LEU . 84.2 tt0 -75.1 -66.66 0.73 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.381 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' GLU . 1.9 tm-20 -35.44 -47.43 0.44 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.337 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -67.63 -47.2 70.29 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.333 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' GLU . 46.4 mt -66.72 -14.63 62.77 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.61 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.01 -48.76 11.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.734 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.551 ' CD ' HH21 ' B' ' 38' ' ' ARG . 81.4 tt0 -65.85 -43.1 89.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.58 -0.448 . . . . 0.0 109.916 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.467 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -57.36 -49.57 75.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.611 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.9 -42.27 93.45 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.828 0.347 . . . . 0.0 110.284 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -57.03 -34.31 68.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.262 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.45 -59.11 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.042 0.448 . . . . 0.0 110.614 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.467 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 4.5 m-85 -54.7 -44.26 73.26 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.415 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 96' ' ' GLN . 45.6 t0 -87.15 64.09 8.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.497 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -40.71 -56.56 2.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 111.499 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.451 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 3.1 m-20 -63.76 -9.98 17.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.119 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 93' ' ' ASP . 24.9 pt20 42.95 27.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.799 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.75 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -72.96 2.21 7.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.674 -179.238 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.535 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 97.05 -0.13 60.3 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.75 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 3.8 m-85 -138.13 143.45 40.35 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.772 0.32 . . . . 0.0 110.253 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mt -96.22 112.79 29.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -79.21 153.1 30.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.404 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.99 90.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.3 m -59.66 -41.3 90.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.029 0.442 . . . . 0.0 110.775 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.451 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 50.2 mt-10 -64.38 -58.78 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.869 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.564 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 47.7 tp -61.09 -23.71 65.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.226 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -77.25 -49.7 14.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -53.78 -51.94 61.81 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.989 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' A' ' 111' ' ' ASN . 47.5 t -59.09 -64.29 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.939 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 108' ' ' VAL . 6.0 tpt -30.2 -68.98 0.07 Allowed 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.383 0.427 . . . . 0.0 110.731 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 18.8 tt -57.07 -34.81 45.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.017 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 108' ' ' VAL . 0.7 OUTLIER -52.66 -13.26 0.37 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.661 0.267 . . . . 0.0 110.737 -179.664 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.597 HD13 HH11 ' B' ' 33' ' ' ARG . 3.9 mm? -92.69 -104.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -154.72 68.96 0.29 Allowed Glycine 0 C--N 1.322 -0.234 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.525 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 82.9 tt0 -169.11 127.06 0.98 Allowed 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.523 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.63 119.96 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.035 0.445 . . . . 0.0 110.314 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 116' ' ' LEU . 4.3 mm? -101.96 166.47 10.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.447 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 121' ' ' VAL . 19.3 p -136.5 177.42 7.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.322 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 32.3 p-10 -71.85 -33.97 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.654 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.418 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 80.7 mm-40 -73.85 -57.02 4.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.456 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 43.3 tp10 -51.08 -44.86 61.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.391 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 117' ' ' THR . 62.1 t -63.38 -46.16 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.165 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -66.58 -32.4 73.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -61.33 -64.45 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.603 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 1.2 ttp -55.03 -41.7 71.71 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.527 -178.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.8 mm -62.18 -42.0 93.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.717 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -75.16 -29.7 60.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -84.42 -66.05 0.94 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.046 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.465 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -41.59 -32.69 0.38 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 110.295 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.442 ' OD2' ' OD1' ' A' ' 133' ' ' ASP . 63.7 t0 -89.39 114.32 25.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.365 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.82 -45.0 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.307 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 12.5 p30 -86.05 -1.83 57.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.462 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.2 42.26 3.12 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.442 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 27.6 p-10 -71.53 -1.1 12.22 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.549 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.73 -10.4 45.21 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -144.28 168.38 20.21 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.635 0.255 . . . . 0.0 110.408 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.8 t -115.3 126.23 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.702 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -92.14 149.69 21.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.355 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -43.83 -42.15 5.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.193 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.83 -50.14 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.435 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 95.6 mt-10 -61.78 -43.1 99.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.194 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.26 -49.79 76.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.089 0.471 . . . . 0.0 109.999 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 20.0 t -57.6 -47.2 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.837 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -60.65 -31.78 70.98 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.815 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.481 ' SD ' ' O ' ' A' ' 144' ' ' MET . 1.6 tmm? -67.0 -38.15 85.49 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.925 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 tpp -84.66 -17.22 39.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.377 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 C--N 1.327 -0.391 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.208 -179.575 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 ttp85 -60.43 -42.54 96.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.524 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.91 -40.01 95.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.431 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.525 ' NH1' ' OE2' ' A' ' 114' ' ' GLU . 14.3 tpp180 -58.86 -45.08 90.98 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.169 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.603 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 11.5 m95 -62.83 -47.39 83.61 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.208 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -65.42 -36.59 84.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.8 t -60.32 -48.06 83.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.573 ' O ' HG23 ' B' ' 30' ' ' VAL . 94.8 p -60.77 -43.14 98.43 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.094 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.19 -43.49 84.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.786 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.2 p -66.64 -41.99 87.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.338 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.449 ' CG2' HD12 ' A' ' 112' ' ' LEU . 68.3 mt -63.13 -41.02 91.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 26' ' ' SER . 38.9 t -59.39 -44.35 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.09 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -64.33 -43.84 93.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.465 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -68.28 -41.46 80.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.588 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.597 HH11 HD13 ' A' ' 112' ' ' LEU . 70.1 ttt180 -74.72 -44.74 48.41 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.002 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.524 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 63.0 -66.1 0.09 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.252 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.576 ' NH2' ' CZ ' ' B' ' 33' ' ' ARG . 42.6 ttm-85 70.21 -38.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 123.413 0.446 . . . . 0.0 110.306 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.524 ' H ' ' C ' ' B' ' 34' ' ' ALA . 33.9 ttm180 -106.14 -0.72 24.44 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.607 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.484 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.7 OUTLIER 65.68 62.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.055 0.455 . . . . 0.0 109.845 179.325 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.551 HH21 ' CD ' ' A' ' 87' ' ' GLU . 2.4 mtp85 -56.17 -33.62 65.41 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.163 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' B' ' 39' ' ' MET . 1.8 mpt? -69.48 -63.14 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.77 -42.21 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.093 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 44.2 t -56.34 -43.25 78.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.298 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.468 ' O ' ' C ' ' B' ' 43' ' ' LEU . 67.4 m-20 -94.32 -3.27 50.78 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.947 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.543 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.007 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.888 0.375 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 10' ' ' VAL . 54.7 mp0 -54.32 -32.68 57.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.589 -179.692 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.546 ' CD ' ' H ' ' A' ' 7' ' ' GLU . 1.3 mp0 -57.02 -35.92 69.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.867 0.365 . . . . 0.0 110.348 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.09 -53.9 13.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.172 0.511 . . . . 0.0 110.411 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.68 -39.07 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.138 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 6' ' ' GLU . 25.5 t -59.17 -48.67 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.322 -179.595 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 7' ' ' GLU . 1.3 m-20 -54.76 -52.76 61.56 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 120.446 -0.502 . . . . 0.0 109.984 -179.308 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -62.61 -40.65 97.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.033 179.311 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -60.72 -42.69 97.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.477 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -55.88 -52.73 63.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.23 -179.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.17 75.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.996 0.426 . . . . 0.0 110.44 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.523 ' CE1' ' OD2' ' A' ' 20' ' ' ASP . 3.1 t80 -60.07 -47.28 86.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.233 179.415 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.97 -37.43 58.11 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.094 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.14 -43.36 92.14 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.802 179.596 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.42 -35.65 76.3 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.807 -179.312 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.523 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 96.9 m-20 -93.38 82.88 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.562 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' NZ ' HG22 ' A' ' 35' ' ' VAL . 14.7 mptt -56.18 -42.08 76.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.926 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 23' ' ' GLY . 53.4 p-10 -91.71 38.73 0.99 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 -179.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.54 65.92 0.01 OUTLIER Glycine 0 C--N 1.344 0.987 0 O-C-N 123.927 0.767 . . . . 0.0 111.705 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 50.5 p-10 -91.98 -24.67 19.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.741 0.305 . . . . 0.0 110.489 -179.146 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 115.52 -26.98 8.68 Favored Glycine 0 N--CA 1.466 0.678 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.4 p -125.07 174.49 8.0 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 117.096 0.448 . . . . 0.0 109.915 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.3 mt -114.52 118.62 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.957 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -90.23 -173.66 3.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.422 ' H ' HG22 ' A' ' 28' ' ' THR . 43.6 t -83.85 -43.54 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.62 179.603 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -64.69 -40.03 94.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.591 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 39.0 mt-10 -68.68 -49.98 54.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.356 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' O ' HD23 ' A' ' 32' ' ' LEU . 5.8 tt -60.32 -40.09 89.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.027 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.74 98.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.259 179.345 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.5 m -57.67 -46.47 84.22 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.416 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.417 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 97.5 t -59.8 -45.62 94.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 40' ' ' ASP . 79.1 mt -63.43 -43.34 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 178.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -51.77 -46.0 63.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.67 -178.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.9 t -75.36 -39.93 58.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.217 0.532 . . . . 0.0 110.61 179.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -4.28 40.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.81 -178.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' ILE . 21.0 m-20 -150.17 -124.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.392 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -127.01 -108.31 0.31 Allowed 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.637 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -144.53 77.34 13.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.711 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.56 165.44 27.14 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.92 2.413 . . . . 0.0 111.794 179.605 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 m -78.0 133.44 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 48' ' ' LEU . 72.6 tt0 -53.35 -46.36 69.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.573 179.701 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -40.89 -42.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 0.0 110.619 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.06 -33.89 76.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.325 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' GLU . 9.3 mp -74.6 -45.0 48.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 179.501 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -31.34 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.91 -54.05 15.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.1 ttp -57.05 -44.73 83.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.606 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.6 mt -67.82 -38.62 80.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.397 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 t -66.27 -38.4 87.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -51.62 -39.49 58.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.576 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ALA . 97.4 t -99.52 -53.28 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.774 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 42.6 t0 -47.33 94.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.334 -179.666 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.56 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -44.97 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.983 -179.667 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 59' ' ' GLY . 21.3 p-10 -61.8 6.7 0.06 Allowed 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.56 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 17.18 60.34 0.01 OUTLIER Glycine 0 C--N 1.346 1.126 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 179.516 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 9.4 p-10 -89.86 -21.84 22.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.746 0.308 . . . . 0.0 110.632 -179.037 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.33 7.86 39.41 Favored Glycine 0 N--CA 1.463 0.438 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.551 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 15.9 p -133.41 123.69 25.8 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.492 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.0 mt -97.77 124.12 50.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -89.55 170.72 10.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.334 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -55.07 -43.73 74.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.336 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.29 -42.54 95.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -72.03 -43.6 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.652 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.55 -44.51 93.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.087 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.7 tt -63.12 -45.81 90.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.066 0.46 . . . . 0.0 110.267 -179.677 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.9 m -59.59 -44.23 93.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.47 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mt -59.83 -47.98 83.52 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.598 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.514 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -69.5 -40.91 76.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.951 0.405 . . . . 0.0 110.952 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.44 -36.33 77.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.6 -179.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -62.21 1.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.669 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.56 ' O ' ' C ' ' A' ' 76' ' ' VAL . 43.3 tptt -45.84 -81.57 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.289 -179.09 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.589 ' O ' ' CB ' ' A' ' 77' ' ' LYS . 95.2 t -9.46 123.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.953 0 O-C-N 124.539 1.15 . . . . 0.0 110.81 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.589 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 45.4 tttp 98.17 106.63 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.674 1.234 . . . . 0.0 110.825 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 27.2 t0 90.9 13.03 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.084 0.865 . . . . 0.0 111.066 178.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.508 ' OG1' ' NH2' ' B' ' 38' ' ' ARG . 22.6 p -66.04 48.04 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.751 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 78' ' ' ASP . 90.4 m-20 61.79 144.63 0.02 OUTLIER 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.557 0.536 . . . . 0.0 111.221 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.11 -54.6 6.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.906 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -53.79 -17.03 2.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.552 -179.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -89.28 -50.75 5.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.728 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.459 ' OE2' ' OG1' ' A' ' 79' ' ' THR . 90.1 mt-10 -67.73 -35.69 79.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.986 0.422 . . . . 0.0 110.13 179.669 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.538 HD21 HG22 ' A' ' 142' ' ' VAL . 1.1 tp -76.19 -35.9 58.89 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.548 -179.061 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -84.66 -45.22 12.7 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.869 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -62.78 -46.93 85.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.201 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.44 -52.03 67.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.891 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.31 -41.09 83.71 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.211 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -55.69 -35.89 66.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 -179.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.5 t -73.34 -57.73 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 3.7 m-85 -56.64 -47.56 79.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.021 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.616 ' O ' ' N ' ' A' ' 96' ' ' GLN . 40.0 t0 -86.64 56.54 4.05 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.556 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -38.53 -51.83 1.6 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.832 0.349 . . . . 0.0 110.871 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.455 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.1 m-20 -64.46 -19.68 65.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.553 -179.321 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.616 ' N ' ' O ' ' A' ' 93' ' ' ASP . 88.7 mt-30 60.43 11.13 2.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.448 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.432 ' O ' ' CE2' ' A' ' 99' ' ' TYR . 28.5 p-10 -59.85 -0.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 89.54 4.7 73.01 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.432 ' CE2' ' O ' ' A' ' 97' ' ' ASN . 5.3 m-85 -136.57 141.88 43.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.633 0.254 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.2 mt -97.64 114.19 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.961 0.41 . . . . 0.0 109.926 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.5 t -82.77 149.32 27.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.708 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.06 -42.74 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 72.3 p -60.0 -40.95 90.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.589 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.455 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 90.7 mt-10 -64.51 -57.95 7.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.274 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.412 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 54.9 tp -60.06 -22.41 62.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.485 ' O ' HG22 ' A' ' 110' ' ' ILE . 73.1 ttt-85 -82.6 -41.48 19.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.968 179.654 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -57.31 -53.09 62.02 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.966 -179.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 112' ' ' LEU . 11.2 t -60.67 -64.97 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.979 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 108' ' ' VAL . 1.5 mmt -32.13 -76.87 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.492 0.495 . . . . 0.0 110.976 -179.486 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.618 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.9 tt -49.31 -47.49 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.722 -179.105 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.618 ' N ' HG23 ' A' ' 110' ' ' ILE . 48.5 t30 -66.42 -8.89 28.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 -179.692 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 108' ' ' VAL . 9.5 tp -89.2 14.56 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.955 -179.395 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.76 67.44 1.57 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -171.66 138.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.321 . . . . 0.0 110.297 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 98.61 8.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.34 . . . . 0.0 110.592 -179.733 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.1 mt -109.4 130.05 55.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.494 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.4 p -70.73 169.74 13.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.251 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 17.2 p-10 -64.09 -31.97 73.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.502 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.44 -49.54 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.476 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 26.8 tp10 -57.91 -44.09 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.262 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.6 t -65.59 -43.71 93.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.389 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -59.49 -26.31 65.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.308 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.416 ' O ' ' OE1' ' A' ' 127' ' ' GLU . 71.3 mt-30 -76.82 -65.05 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.495 179.231 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.0 ttt -39.73 -51.65 2.33 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.915 0.388 . . . . 0.0 111.009 -179.247 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.571 HG23 ' N ' ' A' ' 126' ' ' LYS . 9.7 tp -63.25 -44.97 99.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.61 -179.751 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.571 ' N ' HG23 ' A' ' 125' ' ' ILE . 64.2 tttp -65.91 -32.36 73.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.766 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 123' ' ' GLN . 2.1 mp0 -74.46 -55.86 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.356 -179.221 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.557 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -52.12 -30.18 25.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.393 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 22.0 t0 -83.75 100.61 11.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.862 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.8 mt -73.66 -38.51 64.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.425 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 20.0 p-10 -92.05 1.9 56.91 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 -179.356 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 54.4 112.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.454 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 10.8 m-20 -158.56 10.88 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.784 0.325 . . . . 0.0 110.548 179.813 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.49 0.6 12.23 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -148.82 160.67 43.01 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.875 0.369 . . . . 0.0 110.427 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.8 t -117.91 125.51 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 CA-C-O 121.153 0.502 . . . . 0.0 110.538 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.692 HD22 ' N ' ' A' ' 137' ' ' ASN . 0.6 OUTLIER -88.24 150.08 23.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.375 179.869 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.538 ' CE2' HG21 ' A' ' 142' ' ' VAL . 68.3 t80 -45.84 -42.1 11.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.145 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.63 -49.91 75.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.83 -40.36 97.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.136 179.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -60.2 -52.38 65.56 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.92 0.39 . . . . 0.0 110.497 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.538 HG21 ' CE2' ' A' ' 138' ' ' TYR . 52.1 t -57.95 -44.49 86.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.045 -179.471 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -64.22 -37.06 86.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.919 0.39 . . . . 0.0 111.207 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -35.64 78.87 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.2 ttm -90.46 -15.44 30.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.025 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.9 mmt . . . . . 0 N--CA 1.466 0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.259 -179.791 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -62.13 -43.94 97.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.399 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -65.34 -39.17 92.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.588 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.476 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 10.8 tpp85 -59.96 -46.33 89.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.47 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.557 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 8.8 m95 -66.7 -47.27 72.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.956 0.408 . . . . 0.0 110.031 179.009 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -64.12 -37.89 89.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.783 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 68.3 m -61.22 -43.44 98.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.17 179.358 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.755 ' O ' HG23 ' B' ' 30' ' ' VAL . 50.2 p -60.18 -43.66 95.68 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.31 -43.88 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.223 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -65.25 -46.73 79.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.264 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.98 -41.63 91.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.602 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.755 HG23 ' O ' ' B' ' 26' ' ' SER . 54.0 t -61.31 -42.78 94.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.004 179.437 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.404 ' HD3' ' H ' ' A' ' 77' ' ' LYS . 3.8 ttmp? -57.8 -46.04 85.2 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.066 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -65.25 -39.15 92.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.057 179.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.671 ' O ' ' N ' ' B' ' 35' ' ' ARG . 61.5 ttp180 -63.91 -45.75 87.91 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.626 -179.768 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.595 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 47.07 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 O-C-N 123.67 0.606 . . . . 0.0 110.663 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.671 ' N ' ' O ' ' B' ' 33' ' ' ARG . 44.1 ttm180 66.57 -33.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.537 0.523 . . . . 0.0 110.068 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.595 ' H ' ' C ' ' B' ' 34' ' ' ALA . 55.5 ttm-85 -87.73 -8.49 55.99 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.121 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.497 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.9 OUTLIER 67.03 42.46 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.407 179.38 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.508 ' NH2' ' OG1' ' A' ' 79' ' ' THR . 14.5 mtm180 -38.13 -34.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.668 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.0 ttt -65.05 -71.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.66 -43.06 98.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.469 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.4 m -54.7 -44.96 73.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.526 -179.465 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.404 ' C ' HD22 ' B' ' 43' ' ' LEU . 42.7 t-20 -63.58 -41.94 98.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.375 179.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.557 ' N ' HD22 ' B' ' 43' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.423 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 121.255 0.55 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -57.52 -27.03 62.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.558 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -48.17 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.834 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -49.22 -45.16 44.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 mm -61.21 -44.03 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.234 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.0 t -55.64 -46.97 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -54.39 -48.27 71.74 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.38 0.609 . . . . 0.0 109.889 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -62.94 -41.95 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.033 178.374 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -56.79 -37.54 71.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.994 -179.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.13 -50.19 71.4 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.371 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.0 -42.54 63.07 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.089 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.534 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 18.3 t80 -59.98 -45.79 91.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.173 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.91 -41.13 58.59 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.59 -42.98 99.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.563 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 15.0 m-85 -62.21 -40.73 97.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.582 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.534 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 93.3 m-20 -105.85 74.97 1.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.721 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -53.84 -18.35 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.8 p30 -106.67 34.34 3.46 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.27 61.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.891 -0.483 . . . . 0.0 111.891 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 75.5 m-20 -86.61 -29.45 22.56 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 120.364 -0.535 . . . . 0.0 109.768 -178.256 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.507 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 105.42 7.71 36.75 Favored Glycine 0 N--CA 1.467 0.76 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 41.5 m -154.76 157.28 37.75 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 120.873 0.368 . . . . 0.0 110.291 179.732 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 98.8 mt -112.91 116.52 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.241 179.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 m -104.67 151.73 23.35 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.753 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.5 t -49.8 -42.67 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.116 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.71 -59.5 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.579 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 60.2 mt-10 -59.11 -46.18 88.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.002 0.429 . . . . 0.0 110.044 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.94 -40.28 97.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.644 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.98 -46.67 89.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.975 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.431 ' OG1' ' NH2' ' A' ' 37' ' ' ARG . 20.6 m -55.24 -42.81 73.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.105 179.639 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.57 -47.86 91.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.4 mt -65.01 -45.05 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.756 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.431 ' NH2' ' OG1' ' A' ' 34' ' ' THR . 88.4 mtm180 -54.19 -43.05 70.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.285 -179.411 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.61 ' C ' ' H ' ' A' ' 40' ' ' ASP . 4.6 t -63.26 -30.06 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.085 178.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' CD2' ' OG ' ' B' ' 41' ' ' SER . 0.7 OUTLIER -62.23 10.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.61 ' H ' ' C ' ' A' ' 38' ' ' SER . 2.2 t70 80.75 -13.36 0.94 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.539 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -113.67 139.11 49.33 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -129.31 80.38 72.4 Favored Pre-proline 0 N--CA 1.466 0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.159 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.41 155.79 50.29 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.961 2.441 . . . . 0.0 112.1 179.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -63.33 143.63 57.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.446 179.815 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -63.4 -28.72 70.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.679 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 81.1 tt0 -60.49 -62.37 1.91 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.955 -179.266 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.502 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 38.5 tp10 -59.58 -27.24 66.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.111 0.481 . . . . 0.0 110.575 -179.609 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 48' ' ' LEU . 33.6 tp -80.44 -39.92 27.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -68.56 -42.25 78.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.042 -178.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 51' ' ' MET . 2.5 p30 -72.53 -44.72 61.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.752 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.554 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 35.0 ttp -57.76 -45.99 85.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.588 -179.438 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.82 -42.23 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.009 179.21 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.1 p -74.11 -27.64 60.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 -179.516 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 50' ' ' ASP . 83.2 tt0 -65.24 -43.35 91.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.54 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 82.6 t -75.75 -44.26 39.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.683 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.439 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 10.5 t0 -76.04 108.47 8.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.29 -179.168 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.573 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -43.9 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.1 p30 -60.02 4.13 0.05 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.573 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 18.08 60.22 0.01 OUTLIER Glycine 0 C--N 1.344 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.525 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.745 HD22 ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -82.45 -17.54 44.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.737 0.304 . . . . 0.0 110.555 -178.827 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.745 ' N ' HD22 ' A' ' 60' ' ' ASN . . . 102.86 4.73 48.31 Favored Glycine 0 N--CA 1.464 0.505 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.464 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.735 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 21.9 p -135.19 124.19 24.21 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.513 179.674 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.6 mt -92.03 124.39 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.252 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.07 171.93 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.375 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -55.14 -46.09 75.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.48 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.64 -42.25 96.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.86 0.362 . . . . 0.0 110.821 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -71.86 -48.17 47.83 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.551 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -56.79 -45.21 82.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.526 HD23 ' C ' ' A' ' 69' ' ' LEU . 2.8 tt -58.79 -59.86 4.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.63 -178.757 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.4 m -64.27 -43.47 94.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.077 0.465 . . . . 0.0 111.197 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.705 ' C ' HD23 ' A' ' 71' ' ' LEU . 5.6 tt -46.29 -48.16 18.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.698 -179.275 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.532 ' N ' HD23 ' A' ' 71' ' ' LEU . 5.3 tpt -85.18 -61.21 1.82 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.153 -178.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.19 -32.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.975 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -88.33 -61.32 1.74 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.438 -179.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' O ' HG23 ' A' ' 76' ' ' VAL . 26.1 mtpp -61.73 94.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.116 -179.545 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 76' ' ' VAL . 44.9 t -156.22 79.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.562 179.015 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' A' ' 79' ' ' THR . 62.5 tttm -127.68 -105.24 0.32 Allowed 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 119.084 -0.484 . . . . 0.0 109.894 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' LYS . 99.2 m-20 24.99 -82.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 O-C-N 124.091 0.869 . . . . 0.0 111.425 -179.73 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.604 ' N ' ' O ' ' A' ' 77' ' ' LYS . 55.3 m 60.52 146.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.82 0.7 . . . . 0.0 110.11 178.406 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 18.8 t0 -156.49 138.33 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.24 179.847 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.522 ' N ' ' OD1' ' A' ' 80' ' ' ASP . . . -63.8 -58.49 6.66 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.435 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -54.62 -32.64 59.2 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.104 0.478 . . . . 0.0 111.487 -179.511 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -76.08 -47.3 25.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.179 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 30.1 tt0 -76.64 -32.01 57.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.105 0.478 . . . . 0.0 110.675 -179.489 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.64 -40.15 92.19 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.292 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -83.46 -43.73 15.5 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.284 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 91' ' ' VAL . 78.6 tt0 -64.41 -38.27 90.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.233 -179.523 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -66.74 -59.22 3.76 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.139 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -54.05 -41.99 68.74 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -59.01 -37.75 77.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 87' ' ' GLU . 70.6 t -74.15 -51.63 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.967 0.413 . . . . 0.0 110.656 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 8.3 m-30 -60.66 -48.41 81.9 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.639 -179.566 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 96' ' ' GLN . 34.8 t0 -84.19 68.2 10.04 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.307 0.379 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -40.88 -59.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.178 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 55.6 p-10 -66.9 -4.14 8.68 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.98 -179.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 93' ' ' ASP . 12.0 pt20 34.89 59.26 0.7 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.483 0.49 . . . . 0.0 110.706 179.292 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -96.98 3.05 52.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.417 -179.244 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.8 1.72 58.62 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.471 ' CG ' ' NE2' ' A' ' 135' ' ' GLN . 2.7 m-85 -145.49 150.05 35.76 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 110.156 179.671 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.0 mt -97.65 117.24 42.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.222 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 m -84.93 147.92 26.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.349 179.566 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.9 -45.54 74.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.635 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.522 ' OG ' ' NE2' ' A' ' 107' ' ' HIS . 11.7 t -60.7 -44.09 96.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 110.635 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -59.53 -55.14 38.31 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 121.073 0.463 . . . . 0.0 110.443 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.621 HD21 ' SD ' ' A' ' 124' ' ' MET . 43.2 tp -62.43 -21.41 65.4 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.393 179.17 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.478 ' O ' HG22 ' A' ' 110' ' ' ILE . 60.6 ttp180 -82.45 -41.56 19.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.793 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.522 ' NE2' ' OG ' ' A' ' 103' ' ' SER . 37.8 m-70 -56.33 -50.79 70.46 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.607 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 109' ' ' MET . 13.9 t -62.32 -63.88 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.898 179.536 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -32.12 -74.68 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.517 0.51 . . . . 0.0 111.233 -179.098 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.629 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.7 tt -49.05 -47.97 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.629 ' N ' HG23 ' A' ' 110' ' ' ILE . 11.2 m120 -61.45 -15.49 37.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.278 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 108' ' ' VAL . 3.7 mp -113.77 7.69 17.21 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 179.168 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.57 109.3 3.3 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 2.7 tt0 -172.47 179.22 2.55 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.125 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 12.5 mttp 161.77 52.42 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.599 0.714 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.498 HD11 ' NH1' ' B' ' 22' ' ' ARG . 22.8 mt -104.9 138.03 41.75 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.764 -179.917 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.6 p -48.57 150.0 1.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.598 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -45.44 -42.37 10.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.496 -179.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -56.41 -46.61 80.11 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.36 0.6 . . . . 0.0 110.501 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -63.56 -38.49 91.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.238 179.174 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.43 ' O ' ' HB3' ' A' ' 124' ' ' MET . 57.6 t -58.96 -42.47 86.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.42 0.628 . . . . 0.0 109.638 179.368 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -54.31 -57.76 9.99 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.601 -0.439 . . . . 0.0 109.916 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -55.45 -26.04 39.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.485 0.66 . . . . 0.0 110.954 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.621 ' SD ' HD21 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -60.24 -54.77 41.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.373 -179.4 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.2 tt -86.21 -29.37 6.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.047 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -60.03 -27.3 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.607 -178.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -68.6 -49.73 57.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.16 -179.289 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.29 -6.73 52.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.174 0.511 . . . . 0.0 110.652 -179.696 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.485 ' OD1' ' O ' ' A' ' 132' ' ' GLY . 0.2 OUTLIER -88.82 91.61 8.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.558 179.66 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.633 HD22 ' N ' ' A' ' 130' ' ' LEU . 3.8 mm? -70.11 -57.63 4.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.805 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -91.77 1.05 57.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.0 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.61 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 70.72 -75.53 0.56 Allowed Glycine 0 C--O 1.224 -0.491 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.952 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.571 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 6.1 p30 40.74 16.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.665 0.269 . . . . 0.0 110.422 -179.042 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 75.7 -20.14 2.38 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.463 -0.399 . . . . 0.0 112.299 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.571 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 12.9 pt20 -136.88 174.44 10.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.785 0.802 . . . . 0.0 110.837 -178.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.7 t -110.2 123.01 65.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.828 179.38 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.678 HD22 ' N ' ' A' ' 137' ' ' ASN . 0.4 OUTLIER -80.53 154.68 27.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.409 179.504 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.419 ' CE1' HG21 ' A' ' 142' ' ' VAL . 40.6 t80 -55.38 -44.35 76.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -54.74 -44.42 73.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.252 -179.567 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.32 -38.22 88.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.312 179.521 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.01 -48.19 82.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.793 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.419 HG21 ' CE1' ' A' ' 138' ' ' TYR . 88.2 t -60.6 -44.42 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.673 -179.712 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -60.25 -41.41 93.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.053 -179.35 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' A' ' 144' ' ' MET . 6.0 tmm? -72.64 -37.7 67.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.129 0.49 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.2 tpt -63.56 -33.73 76.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.935 -179.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.8 mmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 -179.332 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 -59.81 -47.26 86.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -66.07 -40.74 91.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.56 -179.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.498 ' NH1' HD11 ' A' ' 116' ' ' LEU . 84.7 mtt-85 -61.6 -42.33 98.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.984 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.574 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 3.6 m95 -60.88 -48.39 82.03 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.034 178.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -66.03 -34.0 77.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.774 179.27 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.4 t -60.59 -46.89 88.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.149 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.463 ' O ' HG23 ' B' ' 30' ' ' VAL . 28.7 m -60.75 -43.8 97.52 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.259 179.404 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.8 t -67.66 -42.83 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.207 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -61.58 -42.52 98.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.56 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 56.6 mt -61.34 -41.96 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.757 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 26' ' ' SER . 64.0 t -60.35 -40.06 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.523 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -60.03 -46.68 88.73 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.229 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -67.23 -38.72 85.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.134 178.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.623 ' NH2' ' NH2' ' B' ' 35' ' ' ARG . 58.5 ttt85 -67.74 -44.38 77.72 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.341 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . 36.83 92.08 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.203 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.623 ' NH2' ' NH2' ' B' ' 33' ' ' ARG . 6.3 mmt85 -93.72 7.91 43.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.47 179.677 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.418 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 90.1 mtt-85 -130.73 1.38 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER 62.05 45.96 6.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.419 179.572 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.525 ' NE ' ' OE1' ' A' ' 87' ' ' GLU . 65.7 mtp180 -39.73 -37.6 0.55 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.992 0.425 . . . . 0.0 110.653 -179.279 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 85.1 mmm -67.39 -68.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.156 -179.498 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.56 -43.09 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.588 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.487 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 30.2 t -55.33 -44.68 76.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.222 -179.229 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -64.16 -41.56 97.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 179.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.536 HD12 ' N ' ' B' ' 43' ' ' LEU . 10.5 mp . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.38 -179.823 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p . . . . . 0 C--O 1.223 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -57.63 -14.52 5.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.76 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 11.6 mp0 -60.54 -57.44 12.71 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.941 0.4 . . . . 0.0 110.54 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -47.06 -40.25 14.59 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.091 -179.515 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.7 mm -66.33 -42.71 91.14 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.293 179.152 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.89 -47.73 85.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.704 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.81 -53.62 54.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.301 0.572 . . . . 0.0 110.233 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -58.21 -42.57 86.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.621 179.362 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -62.03 -40.27 95.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.418 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -58.88 -51.61 69.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.377 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.44 -37.78 70.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.936 0.398 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 59.2 t80 -63.72 -47.57 80.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.602 179.068 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.24 -36.02 61.51 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.456 -1.057 . . . . 0.0 110.456 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.55 -46.01 77.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.681 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.539 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 8.2 m-85 -56.0 -34.35 65.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.165 -179.407 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.417 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 97.9 m-20 -103.31 79.8 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.846 -179.678 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' NZ ' HG22 ' A' ' 35' ' ' VAL . 46.9 mttm -56.92 -15.98 5.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.276 -179.212 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' GLY . 50.6 p30 -117.14 35.1 4.79 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.763 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.35 56.45 0.01 OUTLIER Glycine 0 C--N 1.349 1.288 0 O-C-N 123.963 0.789 . . . . 0.0 111.781 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 25.8 p-10 -81.96 -27.61 33.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.933 0.397 . . . . 0.0 110.764 -178.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.37 7.27 28.49 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 20.7 m -159.51 163.01 35.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.4 mt -116.69 119.4 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 m -97.14 151.57 19.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.017 0.436 . . . . 0.0 111.134 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.0 t -46.01 -41.69 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.119 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.31 -56.91 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -57.0 -45.14 83.23 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -61.47 -41.43 97.23 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.881 -178.587 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.64 -47.92 78.68 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.759 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 m -60.16 -54.78 41.75 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.204 -179.257 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.412 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 83.9 t -48.27 -46.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.442 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.407 ' CD1' HD12 ' A' ' 32' ' ' LEU . 77.3 mt -62.47 -43.62 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.602 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.81 -29.8 65.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.944 0.402 . . . . 0.0 110.676 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.427 ' C ' ' H ' ' A' ' 40' ' ' ASP . 25.0 p -56.78 -31.32 64.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.389 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 41' ' ' GLN . 5.7 mp -75.74 13.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.366 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 38' ' ' SER . 11.8 t0 72.73 -18.6 0.34 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.49 ' H ' ' C ' ' A' ' 39' ' ' LEU . 77.9 mt-30 -78.45 168.65 19.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.289 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -156.74 84.15 3.11 Favored Pre-proline 0 C--N 1.323 -0.554 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.703 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -75.61 170.62 19.85 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.796 2.331 . . . . 0.0 111.942 -179.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.518 HG22 ' H ' ' A' ' 46' ' ' GLU . 73.8 m -79.91 155.76 27.6 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.549 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.437 ' N ' HG22 ' A' ' 44' ' ' THR . 12.2 pt-20 -73.67 -40.74 63.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.534 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.518 ' H ' HG22 ' A' ' 44' ' ' THR . 80.7 mm-40 -49.31 -60.87 2.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.506 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.59 -67.45 0.33 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -43.66 -46.02 7.17 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.616 -178.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 66.3 tt0 -66.09 -37.14 85.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.255 179.635 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -66.93 -43.87 82.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.498 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.6 tmm? -60.15 -45.7 92.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.774 -179.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.412 HG12 HD11 ' A' ' 63' ' ' ILE . 27.2 mt -70.28 -28.8 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.971 0.415 . . . . 0.0 110.32 179.358 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.9 m -68.36 -46.77 69.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.277 -179.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -62.55 -37.62 86.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 t -80.6 -44.8 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.645 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 60' ' ' ASN . 34.3 t0 -69.07 100.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.415 -179.488 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.563 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -49.73 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.913 -179.637 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 59' ' ' GLY . 32.6 p-10 -63.04 8.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.578 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 28.63 62.84 0.12 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.459 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.615 ' CG ' ' HG1' ' A' ' 62' ' ' THR . 38.7 p30 -101.31 26.61 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.464 -179.055 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 49.7 18.95 1.94 Allowed Glycine 0 CA--C 1.518 0.221 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.615 ' HG1' ' CG ' ' A' ' 60' ' ' ASN . 22.7 p -138.46 138.18 37.87 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.692 0.282 . . . . 0.0 110.315 179.445 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.412 HD11 HG12 ' A' ' 52' ' ' ILE . 52.1 mt -102.06 129.82 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.834 0.35 . . . . 0.0 110.47 -179.625 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -94.11 154.92 17.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.359 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -44.0 -50.16 8.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.545 -179.335 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -60.89 -36.78 80.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.394 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.24 -48.35 57.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.497 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.0 -42.77 99.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.296 179.56 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -58.27 -62.34 1.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.674 -178.778 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.7 p -59.61 -37.28 78.16 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.283 -179.006 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 71' ' ' LEU . 3.0 tm? -62.03 -51.92 66.04 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.801 -178.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.558 ' SD ' ' SD ' ' B' ' 39' ' ' MET . 8.0 tpt -73.33 -40.48 64.42 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.413 -179.049 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.4 -23.68 65.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.756 -179.64 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -57.98 -64.58 0.86 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.729 -179.359 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 76' ' ' VAL . 49.9 tptt -42.13 -79.88 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.264 -178.338 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.515 ' C ' ' O ' ' A' ' 75' ' ' LYS . 10.1 t -17.47 108.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 124.296 0.997 . . . . 0.0 110.606 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -170.73 -86.77 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.486 -179.052 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -167.04 -52.86 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.44 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.4 p 54.78 -134.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.686 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 8.8 t0 -76.79 143.46 39.81 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.463 0.649 . . . . 0.0 110.939 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.498 ' N ' ' OD1' ' A' ' 80' ' ' ASP . . . -73.47 -54.86 7.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.776 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.54 -17.42 13.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.11 0.481 . . . . 0.0 110.51 -179.416 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -81.11 -53.64 6.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.435 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.559 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 73.6 mm-40 -72.24 -36.56 69.13 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.258 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.772 HD21 HG22 ' A' ' 142' ' ' VAL . 10.3 tp -67.14 -39.73 86.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.691 -179.332 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -80.36 -43.39 21.2 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 91' ' ' VAL . 11.4 tm-20 -57.61 -42.98 84.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.152 0.501 . . . . 0.0 110.069 -179.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.14 -56.05 22.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.923 179.446 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.478 ' CZ ' ' CG ' ' A' ' 93' ' ' ASP . 80.8 t80 -55.88 -38.25 69.9 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.278 179.821 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -57.23 -37.86 72.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 87' ' ' GLU . 82.8 t -72.36 -51.56 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.807 179.306 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -62.52 -49.0 77.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.226 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' GLN . 0.9 OUTLIER -76.92 53.6 0.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.263 0.554 . . . . 0.0 109.74 -179.69 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -42.3 -59.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.307 -178.506 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.452 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 1.5 p-10 -69.01 -3.84 14.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.409 -179.818 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 93' ' ' ASP . 97.3 mt-30 46.43 47.66 13.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.498 179.555 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 54.2 p30 -87.79 -2.87 58.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.519 -179.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.432 ' O ' ' OD1' ' A' ' 137' ' ' ASN . . . 92.03 1.47 70.0 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.433 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 6.3 m-85 -144.53 149.95 36.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.7 mt -97.85 115.2 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.556 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -89.49 148.98 23.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.224 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.19 -43.75 32.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.352 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.8 t -58.63 -40.78 84.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.386 . . . . 0.0 110.505 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.452 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 83.1 mt-10 -65.24 -51.87 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.101 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.6 tp -67.61 -26.79 66.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.365 179.655 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.502 ' O ' HG22 ' A' ' 110' ' ' ILE . 61.6 ttp180 -78.62 -45.54 21.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.144 179.556 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -56.75 -48.71 77.2 Favored 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.659 0.599 . . . . 0.0 109.657 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 109' ' ' MET . 52.0 t -63.04 -62.92 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.738 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' VAL . 1.4 mmt -31.8 -73.2 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.055 0.455 . . . . 0.0 111.046 -179.366 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.597 HG23 ' N ' ' A' ' 111' ' ' ASN . 15.7 tt -51.25 -45.5 32.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.753 -179.265 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.597 ' N ' HG23 ' A' ' 110' ' ' ILE . 24.8 t-20 -54.09 -12.01 0.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.541 -179.512 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.433 ' C ' HH12 ' B' ' 33' ' ' ARG . 88.3 mt -99.45 11.03 40.25 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.735 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.72 -55.09 1.4 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.77 111.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.817 0.342 . . . . 0.0 110.5 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -94.59 118.16 31.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.263 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 66.2 mt -110.49 136.66 49.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.424 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.2 p -69.73 168.31 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.515 -179.647 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -64.23 -23.48 67.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.298 -179.769 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -71.3 -46.48 60.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.942 0.401 . . . . 0.0 110.688 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.23 -44.35 84.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.62 -48.42 86.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.25 -27.05 68.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.986 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -67.71 -63.38 1.07 Allowed 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.984 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 5.0 ttp -53.24 -56.44 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.574 -178.103 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 126' ' ' LYS . 19.1 tt -50.96 -38.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.454 -179.377 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.433 ' N ' HG23 ' A' ' 125' ' ' ILE . 60.0 mttm -67.98 -35.74 78.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.76 178.843 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -77.79 -54.71 6.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.454 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -50.67 -38.45 46.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.705 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.551 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 37.4 t0 -69.58 108.18 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.02 -44.03 55.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.688 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.526 ' O ' ' O ' ' A' ' 132' ' ' GLY . 32.9 p30 -89.56 2.09 55.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.038 -179.104 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.526 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 48.44 113.11 0.01 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.352 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.551 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.3 m-20 -153.5 -12.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.238 -0.566 . . . . 0.0 110.657 179.817 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.415 ' H ' ' H ' ' A' ' 133' ' ' ASP . . . 102.73 -9.15 55.25 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.684 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -144.22 149.8 36.94 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.821 0.344 . . . . 0.0 110.397 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.4 t -100.14 124.48 53.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.287 0.565 . . . . 0.0 110.734 179.577 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 98' ' ' GLY . 54.8 t30 -86.73 155.8 20.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.413 179.346 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.507 ' CZ ' HG21 ' A' ' 142' ' ' VAL . 83.0 t80 -51.08 -42.24 60.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.109 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -61.1 -44.52 97.23 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.52 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.425 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 97.5 mt-10 -66.05 -41.94 90.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.154 179.471 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -61.75 -48.13 82.07 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.128 0.49 . . . . 0.0 110.345 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.772 HG22 HD21 ' A' ' 85' ' ' LEU . 28.1 t -60.98 -45.07 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.184 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -59.9 -36.04 76.13 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.22 -179.112 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 ttp -70.62 -30.28 66.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.979 0.418 . . . . 0.0 110.679 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.8 mmt -73.48 -27.16 61.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.009 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.465 0.313 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.541 -179.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.517 ' O ' ' SD ' ' A' ' 124' ' ' MET . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.677 ' NH1' HE22 ' B' ' 21' ' ' GLN . 8.6 tmm_? -57.46 -39.05 75.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.439 -179.823 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.677 HE22 ' NH1' ' B' ' 20' ' ' ARG . 94.4 mm-40 -63.44 -41.87 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.279 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -64.38 -39.31 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.283 179.578 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 2.8 m95 -62.25 -49.93 73.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.021 0.438 . . . . 0.0 110.011 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -65.57 -36.97 85.33 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.879 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m -60.5 -43.74 96.71 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.197 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 89.5 p -60.57 -43.28 97.49 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.286 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.461 ' O ' HG12 ' B' ' 30' ' ' VAL . 95.0 t -70.88 -41.34 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.601 0.715 . . . . 0.0 110.721 179.501 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.2 t -70.44 -39.61 74.25 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.303 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 65.5 mt -65.65 -43.62 93.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.754 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.461 HG12 ' O ' ' B' ' 27' ' ' VAL . 0.3 OUTLIER -63.29 -37.65 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.974 -179.424 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.559 ' NZ ' ' OE1' ' A' ' 84' ' ' GLU . 9.6 ttmm -77.01 -37.28 55.33 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.754 -179.302 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -78.78 -16.0 57.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.062 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.433 HH12 ' C ' ' A' ' 112' ' ' LEU . 24.1 ttm180 -89.75 -58.34 2.55 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.22 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 33.05 57.8 0.46 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.41 0.444 . . . . 0.0 110.896 -179.41 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -60.76 -6.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.169 -178.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.468 ' HB2' HD21 ' A' ' 39' ' ' LEU . 28.8 ptt180 -107.53 -4.46 18.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.539 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 1.5 m-85 66.18 48.43 1.68 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.621 -179.439 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -45.56 -31.37 1.8 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.851 0.358 . . . . 0.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . 0.558 ' SD ' ' SD ' ' A' ' 72' ' ' MET . 45.7 mtt -68.22 -65.4 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.718 -179.486 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.92 -42.3 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.395 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -53.62 -45.56 70.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.197 -179.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -64.43 -40.61 96.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.335 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.408 -179.816 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.913 0.387 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 49.2 mp0 -55.7 -25.91 42.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.42 -179.712 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -53.27 -61.04 2.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.549 -179.819 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -47.92 -42.01 26.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.266 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.5 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.3 mp -68.97 -42.1 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.323 179.151 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 6' ' ' GLU . 25.6 t -60.78 -50.05 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.229 -179.559 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -59.74 -47.54 85.26 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.449 -0.5 . . . . 0.0 109.897 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.12 -43.36 99.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.55 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -63.72 -40.74 97.5 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.497 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' HD13 ' A' ' 18' ' ' LEU . 34.8 tp10 -56.95 -50.87 71.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.269 -179.762 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.34 77.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.159 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.7 -48.39 80.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.406 179.218 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.93 -33.32 63.54 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 14' ' ' GLU . 7.4 mp -66.75 -46.39 75.55 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.905 179.179 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -64.01 -36.17 83.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.656 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 58.8 t0 -92.04 80.18 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.26 0.553 . . . . 0.0 110.878 -179.254 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -64.85 -31.4 72.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.291 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 23' ' ' GLY . 54.3 p-10 -101.44 33.99 2.74 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.133 -179.212 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.511 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.6 57.76 0.01 OUTLIER Glycine 0 C--N 1.351 1.412 0 O-C-N 124.052 0.845 . . . . 0.0 111.857 179.338 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 21.6 p-10 -88.95 -25.38 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.393 . . . . 0.0 110.522 -178.753 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 111.02 -15.61 28.26 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' OD2' ' A' ' 24' ' ' ASP . 2.3 m -145.06 134.24 22.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.105 0.478 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.7 mt -80.9 124.0 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.3 m -94.88 152.69 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.624 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.4 t -45.98 -43.97 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.192 -179.563 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -61.81 -51.88 66.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.571 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.3 mt-10 -56.19 -46.41 79.4 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.698 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.8 tm? -64.01 -43.68 94.92 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.247 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.98 77.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.967 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.3 m -58.27 -43.49 87.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.513 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 31' ' ' GLU . 57.4 t -58.76 -47.04 90.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.514 -179.341 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.419 ' CD1' HD11 ' A' ' 32' ' ' LEU . 27.7 mt -61.09 -42.46 93.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.892 0.377 . . . . 0.0 110.213 -179.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -54.02 -41.7 68.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.19 -179.375 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -88.43 16.08 6.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.501 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.8 OUTLIER -128.13 8.61 6.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.986 179.42 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -176.43 -105.36 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.427 ' CG ' ' H ' ' A' ' 42' ' ' ASN . 1.4 pt20 -129.56 -106.64 0.29 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.661 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.457 ' O ' ' O ' ' A' ' 43' ' ' PRO . 39.6 t30 -163.02 76.3 1.89 Allowed Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.444 -179.788 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 42' ' ' ASN . 50.3 Cg_exo -54.65 -140.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 123.034 2.49 . . . . 0.0 111.892 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.9 t -129.5 148.98 51.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.4 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -65.17 -29.98 70.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -54.44 -47.13 73.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 44' ' ' THR . 41.6 tp10 -60.29 -68.92 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.81 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.0 mt -46.25 -46.22 17.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.232 -179.01 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -57.97 -41.16 82.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.305 179.333 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -66.32 -49.06 68.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.625 179.522 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.8 ttm -62.89 -47.95 81.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.524 -179.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.618 ' CD1' HD11 ' A' ' 63' ' ' ILE . 33.8 mm -64.9 -27.42 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.236 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.4 t -82.95 -38.91 22.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.945 0.403 . . . . 0.0 111.415 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -57.97 -35.87 71.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.886 -178.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 57' ' ' ALA . 62.1 t -91.96 -52.86 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.119 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 52' ' ' ILE . 37.4 m-20 -37.43 96.35 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.976 0.417 . . . . 0.0 110.776 -179.528 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -87.36 6.64 32.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.571 179.41 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 59' ' ' GLY . 35.3 p-10 -128.58 17.9 6.35 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.6 39.91 0.04 OUTLIER Glycine 0 N--CA 1.469 0.864 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.759 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 43.5 p-10 -84.87 -29.03 25.59 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.617 0.246 . . . . 0.0 110.65 -179.336 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 90.92 2.4 71.82 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.462 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 22.6 p -137.59 156.89 47.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.709 0.29 . . . . 0.0 110.358 179.743 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.618 HD11 ' CD1' ' A' ' 52' ' ' ILE . 71.7 mt -103.61 128.05 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.044 -179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 97.0 mt-10 -101.63 162.24 13.05 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.32 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -42.23 -51.05 4.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 0.0 110.863 -179.356 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -61.48 -37.41 83.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.178 0.513 . . . . 0.0 110.085 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.491 ' HB2' ' H ' ' A' ' 64' ' ' GLU . 77.2 mt-10 -74.51 -42.06 59.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.669 179.286 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 24.2 t80 -59.8 -44.52 93.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.8 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 73' ' ' ALA . 1.4 tt -60.31 -45.86 91.92 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.305 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.4 t -56.09 -41.89 75.87 Favored 'General case' 0 C--O 1.255 1.356 0 CA-C-O 122.101 0.953 . . . . 0.0 110.535 179.612 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -57.73 -49.98 74.74 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.187 -179.434 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.0 mmt -85.39 -10.75 55.84 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.536 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -58.26 -31.67 67.64 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.47 -6.73 7.93 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.043 178.785 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt 68.16 -110.75 0.11 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.715 0.634 . . . . 0.0 111.04 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.598 HG13 ' N ' ' A' ' 77' ' ' LYS . 5.6 p -134.64 -53.25 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.598 ' N ' HG13 ' A' ' 76' ' ' VAL . 62.1 tttm 174.35 144.56 0.05 Allowed 'General case' 0 CA--C 1.517 -0.29 0 O-C-N 123.677 0.611 . . . . 0.0 109.823 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' A' ' 77' ' ' LYS . 91.4 m-20 -18.45 -73.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.067 0.854 . . . . 0.0 111.242 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.538 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 2.1 m -162.67 -139.15 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 177.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.538 ' CG ' ' O ' ' A' ' 79' ' ' THR . 35.5 m-20 127.49 116.32 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 O-C-N 125.754 1.909 . . . . 0.0 111.094 179.219 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.32 -54.09 6.9 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.193 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -53.9 -25.2 19.03 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.205 -179.456 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -79.71 -62.57 1.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.868 179.848 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 98.5 mt-10 -65.99 -36.32 82.99 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.669 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.925 HD21 HG22 ' A' ' 142' ' ' VAL . 13.2 tp -67.18 -40.33 86.56 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.145 -179.322 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -81.98 -48.31 11.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.244 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.657 ' O ' HG23 ' A' ' 91' ' ' VAL . 81.0 mm-40 -60.13 -30.98 69.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.273 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' GLU . . . -69.07 -59.1 3.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.202 179.285 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 1.1 t80 -59.1 -31.07 68.59 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.07 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -65.47 -36.92 85.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -178.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 87' ' ' GLU . 99.2 t -75.74 -57.98 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.119 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -55.84 -43.94 77.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 11.9 t0 -84.53 65.24 8.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.062 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -44.84 -55.88 5.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.605 -178.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -76.85 0.95 18.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 -178.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.426 ' OE1' ' CE1' ' A' ' 89' ' ' PHE . 12.9 mm100 48.11 23.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.457 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -53.76 -11.83 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.594 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.427 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.88 -9.62 55.26 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 1.8 m-85 -138.32 145.29 41.0 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 120.62 0.248 . . . . 0.0 110.374 -179.662 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -89.14 116.38 30.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 p -84.97 152.12 23.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.166 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.21 81.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.78 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.2 m -59.39 -42.88 92.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.79 0.328 . . . . 0.0 110.638 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -65.9 -54.0 32.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.469 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.31 -24.64 65.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.412 179.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.454 ' O ' HG22 ' A' ' 110' ' ' ILE . 76.8 ttt180 -80.68 -41.87 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.926 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.732 ' CE1' HD21 ' A' ' 111' ' ' ASN . 83.6 t60 -55.31 -52.2 64.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.495 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 109' ' ' MET . 6.5 t -62.34 -62.64 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 120.199 -0.6 . . . . 0.0 110.033 179.43 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.463 ' CE ' ' OG ' ' B' ' 26' ' ' SER . 0.6 OUTLIER -32.16 -74.8 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.125 0.488 . . . . 0.0 111.179 -179.182 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.644 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.3 tt -52.28 -47.85 44.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.076 -178.804 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.732 HD21 ' CE1' ' A' ' 107' ' ' HIS . 45.7 m-20 -50.83 -12.86 0.12 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.755 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.554 HD11 ' NH1' ' B' ' 33' ' ' ARG . 7.4 mp -106.77 82.26 1.68 Allowed 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 18.23 60.1 0.01 OUTLIER Glycine 0 N--CA 1.471 0.967 0 O-C-N 124.329 1.018 . . . . 0.0 111.997 179.071 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -145.93 120.71 9.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.245 0.545 . . . . 0.0 110.601 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -95.68 93.34 7.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.534 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.447 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -110.11 140.14 44.51 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.361 -179.733 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.8 p -88.4 177.82 6.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.379 179.371 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 18.5 p-10 -65.57 -28.59 69.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 179.743 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.97 -53.62 14.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -53.38 -41.18 65.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.002 0.43 . . . . 0.0 110.308 -179.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 82.9 t -64.78 -43.94 96.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.237 0.541 . . . . 0.0 110.128 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.31 -22.04 64.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.424 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -75.13 -57.42 3.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.647 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.497 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 21.3 ptm -58.69 -45.06 90.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 -178.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.497 ' N ' ' CG ' ' A' ' 124' ' ' MET . 3.6 tp -64.63 -41.33 91.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.747 -178.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.457 ' N ' HG23 ' A' ' 125' ' ' ILE . 37.1 ttmt -63.63 -45.01 92.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.761 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -73.48 -47.54 40.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.686 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -61.89 -29.03 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.44 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 68.5 t0 -85.14 107.55 17.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.53 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 130' ' ' LEU . 3.9 mm? -64.17 -40.2 95.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.65 -179.624 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.46 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 23.5 m-20 -84.42 1.92 43.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.211 -179.572 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.02 31.35 0.46 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.7 p30 -84.93 -1.84 57.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.655 0.264 . . . . 0.0 110.519 -179.663 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.01 17.84 58.79 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -149.55 155.15 39.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.068 0.461 . . . . 0.0 110.421 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.0 t -125.88 125.78 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.455 179.224 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -91.15 158.08 16.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.361 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -51.2 -42.26 60.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.42 -46.75 85.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.438 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.46 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 96.5 mt-10 -65.86 -36.7 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.042 179.406 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -60.93 -47.83 84.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.34 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.925 HG22 HD21 ' A' ' 85' ' ' LEU . 64.0 t -59.68 -45.05 94.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.069 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -64.09 -31.25 72.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.632 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.418 ' SD ' ' O ' ' A' ' 144' ' ' MET . 8.1 tpt -74.72 -28.57 60.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.296 179.67 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 9.3 ttm -92.04 -26.75 18.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.147 -179.296 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 59.0 mtt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.7 -179.964 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -62.1 -39.8 93.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -67.7 -37.06 81.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.415 ' O ' ' OG ' ' B' ' 26' ' ' SER . 13.5 mmp_? -61.26 -43.49 98.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.196 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.686 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.3 m95 -64.19 -49.75 70.82 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.218 0.532 . . . . 0.0 110.247 179.823 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -65.15 -36.32 83.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.909 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 38.8 t -62.05 -42.62 99.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.185 179.413 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.575 ' O ' HG23 ' B' ' 30' ' ' VAL . 1.1 m -60.04 -43.76 95.11 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.316 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.01 -43.84 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.736 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.2 m -67.68 -43.78 79.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.478 -179.234 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 33' ' ' ARG . 77.8 mt -63.23 -42.18 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 26' ' ' SER . 25.1 t -58.85 -45.11 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.1 -179.762 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.514 ' HZ3' HG11 ' A' ' 76' ' ' VAL . 6.0 tptm -67.65 -40.75 84.54 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.936 -179.186 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.7 -23.85 56.2 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.118 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.554 ' NH1' HD11 ' A' ' 112' ' ' LEU . 75.7 ttt180 -60.63 -52.11 66.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.451 -179.506 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 19.57 51.47 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.068 0.855 . . . . 0.0 111.491 -179.575 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' B' ' 33' ' ' ARG . 47.7 ttm-85 -69.4 8.47 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.072 -178.378 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.494 ' H ' ' C ' ' B' ' 34' ' ' ALA . 78.3 mtm180 -126.38 5.12 6.95 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.607 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' B' ' 41' ' ' SER . 0.2 OUTLIER 57.8 66.46 1.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.194 0.521 . . . . 0.0 110.006 179.36 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 81.1 mtm-85 -58.16 -37.88 75.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.219 -179.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 24.2 ttt -60.95 -63.14 1.4 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.37 -43.45 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.703 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 38.3 t -59.7 -44.44 93.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.265 -179.426 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.513 ' O ' ' C ' ' B' ' 43' ' ' LEU . 15.5 t-20 -81.51 -14.71 56.62 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.251 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.513 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.798 0 O-C-N 124.159 0.912 . . . . 0.0 111.888 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.915 0.388 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.37 -25.65 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.395 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -57.9 -56.06 26.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.102 0.477 . . . . 0.0 109.726 179.637 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.609 HE22 ' ND2' ' B' ' 32' ' ' ASN . 91.7 mm-40 -46.91 -42.91 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.267 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.72 -42.6 95.45 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.479 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.0 t -60.36 -50.25 81.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.249 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.71 -49.06 78.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.112 0.482 . . . . 0.0 110.2 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -61.38 -44.33 97.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.943 179.131 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -61.04 -35.93 78.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.395 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -63.29 -50.26 70.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.172 179.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.33 -36.72 64.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.15 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.529 ' CE1' ' OD2' ' A' ' 20' ' ' ASP . 33.2 t80 -63.42 -46.41 86.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.721 179.001 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.45 -39.31 92.77 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.302 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.18 -51.68 65.39 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.721 -179.612 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -58.44 -34.07 70.42 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.072 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.529 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 46.4 m-20 -97.91 74.04 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -62.53 -19.86 64.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.551 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 23' ' ' GLY . 44.9 p30 -108.02 31.98 5.11 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.682 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.73 57.31 0.01 OUTLIER Glycine 0 N--CA 1.473 1.115 0 O-C-N 124.156 0.91 . . . . 0.0 111.643 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' ASP . 26.1 p-10 -86.37 -24.89 25.63 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.925 0.393 . . . . 0.0 110.418 -179.791 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.67 -24.27 10.42 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 3.7 m -134.27 168.33 19.07 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.392 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.1 mt -112.9 117.62 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.264 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -82.17 -172.88 4.21 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.572 -179.666 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 28' ' ' THR . 61.1 t -82.49 -44.95 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.518 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.56 -44.2 96.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.544 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 46.0 mt-10 -60.25 -47.38 86.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.313 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.776 HD22 HD11 ' A' ' 52' ' ' ILE . 4.2 tp -60.99 -40.02 91.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.19 95.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.236 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.2 m -56.74 -47.1 80.81 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.287 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.53 -44.09 92.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.195 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.74 ' CD1' HD11 ' A' ' 48' ' ' LEU . 86.6 mt -61.91 -42.72 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.42 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -53.7 -41.46 66.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.246 -179.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.7 t -90.58 21.41 4.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.63 179.279 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.45 -2.6 8.45 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 41' ' ' GLN . 8.9 p30 -178.19 -95.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.417 -179.712 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.538 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 3.4 pt20 -131.55 -110.4 0.25 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.974 -179.836 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 0.7 OUTLIER -162.36 93.4 1.27 Allowed Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.447 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -77.73 -171.07 1.08 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.553 2.169 . . . . 0.0 111.88 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.494 HG23 ' H ' ' A' ' 47' ' ' GLU . 4.4 t -87.69 147.08 25.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.545 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -66.23 -18.55 65.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -64.79 -45.34 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.814 -179.587 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.494 ' H ' HG23 ' A' ' 44' ' ' THR . 77.6 mm-40 -67.5 -21.24 65.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.622 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.74 HD11 ' CD1' ' A' ' 36' ' ' ILE . 4.0 mm? -77.67 -52.55 8.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.072 179.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -70.77 -27.08 63.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.327 -179.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -69.45 -55.28 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.706 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.5 -39.7 85.19 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.573 -179.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.776 HD11 HD22 ' A' ' 32' ' ' LEU . 6.1 mm -68.71 -20.95 25.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.601 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.7 t -85.88 -32.93 21.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -65.22 -43.28 92.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.714 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.4 t -80.77 -47.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.433 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 60.8 t0 -62.28 99.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.635 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.575 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -49.17 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.925 -179.597 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 59' ' ' GLY . 53.2 p-10 -67.53 17.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.559 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.575 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 21.83 61.53 0.02 OUTLIER Glycine 0 C--N 1.346 1.092 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.355 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 62' ' ' THR . 51.3 p30 -97.11 24.65 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.298 -179.048 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.77 14.68 7.78 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.74 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 40.7 p -140.89 152.43 45.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 110.429 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 52' ' ' ILE . 70.0 mt -115.62 133.08 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -99.02 157.75 16.13 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.327 179.438 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -44.11 -47.49 8.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.639 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.0 -37.08 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.051 0.453 . . . . 0.0 110.304 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -73.53 -43.2 60.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.759 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -61.7 -43.52 98.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.039 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.601 ' O ' HD23 ' A' ' 69' ' ' LEU . 2.6 tt -59.63 -48.66 80.79 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.806 -179.734 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.9 m -54.2 -41.57 68.77 Favored 'General case' 0 C--O 1.252 1.233 0 CA-C-O 122.077 0.942 . . . . 0.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.81 -47.59 85.67 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.546 -179.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.3 mmt -81.47 -17.34 49.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.296 179.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -56.15 -29.31 60.58 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.833 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 75' ' ' LYS . 99.0 mttt -64.01 -10.18 20.2 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.437 178.431 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.625 ' O ' ' N ' ' A' ' 77' ' ' LYS . 18.6 pttp 11.75 98.71 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 O-C-N 124.176 0.922 . . . . 0.0 110.972 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.707 HG13 ' H ' ' A' ' 77' ' ' LYS . 0.2 OUTLIER 0.1 -67.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 123.821 0.701 . . . . 0.0 111.095 -179.097 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.707 ' H ' HG13 ' A' ' 76' ' ' VAL . 83.0 tttt 103.02 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.213 1.571 . . . . 0.0 110.555 179.01 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 79' ' ' THR . 32.9 p-10 -174.07 -43.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.617 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.504 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 69.3 p 52.38 -129.25 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.474 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -75.04 151.31 38.73 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.469 0.652 . . . . 0.0 110.85 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.63 -53.27 23.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.36 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -54.52 -17.76 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -80.36 -57.54 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 179.372 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.517 ' HA ' ' HZ1' ' B' ' 31' ' ' LYS . 5.2 tm-20 -68.77 -36.98 79.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.105 0.478 . . . . 0.0 110.509 -179.828 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.15 -38.23 85.15 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.941 -179.383 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -83.89 -38.99 20.4 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 91' ' ' VAL . 54.5 tp10 -57.15 -44.71 83.7 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -179.709 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.77 -58.53 5.98 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.605 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.515 ' CE1' ' OD2' ' A' ' 93' ' ' ASP . 54.3 t80 -49.64 -41.99 43.92 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.492 179.714 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -62.06 -36.92 83.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 -179.491 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 87' ' ' GLU . 56.2 t -74.55 -56.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.782 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -59.89 -47.38 85.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.126 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.515 ' OD2' ' CE1' ' A' ' 89' ' ' PHE . 5.0 t0 -79.66 55.59 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.651 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -41.28 -61.79 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.348 -178.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -68.85 -1.77 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.595 -178.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 93' ' ' ASP . 88.5 mt-30 43.49 44.29 4.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.433 179.444 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 52.4 p-10 -82.37 -4.75 57.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.611 -179.617 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.08 -7.35 64.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.429 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 5.3 m-85 -139.34 144.92 38.45 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.807 0.303 . . . . 0.0 110.286 -179.763 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mt -95.4 119.06 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.122 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.8 t -91.93 150.34 21.08 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.676 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.39 -43.45 54.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.445 -179.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.6 t -58.78 -40.66 84.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.535 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -65.46 -51.72 58.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.222 0.534 . . . . 0.0 110.001 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.15 -25.31 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.318 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -80.87 -46.2 15.63 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -52.81 -51.09 62.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' A' ' 109' ' ' MET . 37.2 t -62.56 -62.43 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.925 179.589 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.489 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -30.01 -75.72 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.929 0.395 . . . . 0.0 110.483 -179.583 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.555 HG23 ' N ' ' A' ' 111' ' ' ASN . 8.7 tp -47.51 -44.12 9.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.611 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.555 ' N ' HG23 ' A' ' 110' ' ' ILE . 4.6 t-20 -49.66 -11.21 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.862 0.363 . . . . 0.0 110.526 -179.65 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' A' ' 110' ' ' ILE . 67.7 mt -98.68 7.62 45.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.662 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 79.62 21.87 65.6 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 110' ' ' ILE . 29.4 tp10 -103.58 127.31 51.02 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.942 0.401 . . . . 0.0 110.202 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -92.56 96.93 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.985 0.421 . . . . 0.0 111.129 -179.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.4 mt -121.07 129.44 53.34 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.765 179.211 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 76.6 p -77.01 167.67 21.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.513 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.12 -24.72 67.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.364 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -67.32 -49.82 62.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.291 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.435 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 11.9 tm-20 -62.86 -41.87 99.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.151 0.5 . . . . 0.0 110.54 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.8 t -63.32 -43.22 98.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.293 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -64.17 -32.76 74.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.303 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -64.31 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.869 -179.51 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 124' ' ' MET . 3.7 ppp? -56.53 -32.08 64.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.31 -44.25 94.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.368 -179.699 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -70.76 -24.01 62.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.614 -179.465 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -78.57 -52.44 8.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.522 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -57.44 -43.66 84.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.456 -179.618 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.73 107.95 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.268 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.42 -26.43 22.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.624 -179.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -88.72 -6.71 57.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.487 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.21 88.81 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 37.3 p30 -142.1 -21.82 0.7 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.638 0.256 . . . . 0.0 110.691 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 98.6 2.42 57.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -149.3 133.21 17.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.946 0.403 . . . . 0.0 110.565 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.2 t -83.32 124.31 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.46 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.95 159.91 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.587 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -50.84 -41.44 57.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.211 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.68 -51.32 70.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.018 0.437 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.21 -34.6 76.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.024 178.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -61.75 -49.22 77.28 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.299 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.28 -46.42 88.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.135 -179.415 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.73 -29.93 69.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.486 179.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.3 tpt -70.72 -29.34 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.441 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.607 ' O ' ' O ' ' A' ' 146' ' ' MET . 3.7 ttm -91.97 -15.84 27.4 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.228 -179.382 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.607 ' O ' ' O ' ' A' ' 145' ' ' MET . 1.9 mtt . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 121.657 0.742 . . . . 0.0 110.855 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -61.48 -34.05 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.606 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -63.92 -43.51 95.72 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.382 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.435 ' NH1' ' OE2' ' A' ' 120' ' ' GLU . 11.9 mmt85 -63.18 -44.81 94.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.797 0.332 . . . . 0.0 110.501 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.522 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 2.1 m95 -66.27 -46.42 77.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.211 179.43 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -66.81 -39.94 87.89 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.124 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.8 t -61.78 -42.54 99.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.247 179.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.527 ' O ' HG23 ' B' ' 30' ' ' VAL . 4.3 m -60.05 -44.04 94.97 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.29 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.81 -43.42 79.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.894 0.378 . . . . 0.0 110.597 179.684 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -65.88 -45.06 83.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.426 -179.25 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.6 -41.66 92.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.98 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 26' ' ' SER . 25.1 t -59.54 -44.25 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.1 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.517 ' HZ1' ' HA ' ' A' ' 84' ' ' GLU . 35.7 mmtt -64.8 -44.66 89.2 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.687 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.609 ' ND2' HE22 ' A' ' 8' ' ' GLN . 37.9 t30 -65.4 -34.11 77.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.93 179.348 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 33' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' B' ' 34' ' ' ALA . 78.7 ttt180 -57.83 -58.67 7.37 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.578 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.504 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 29.64 44.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.535 0.522 . . . . 0.0 111.036 -179.444 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.431 ' H ' ' HG2' ' B' ' 33' ' ' ARG . 38.5 ttm180 -60.02 -1.22 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.084 -179.301 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' B' ' 34' ' ' ALA . 49.1 mmm-85 -107.49 -4.71 18.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 -179.521 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . 0.475 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.4 OUTLIER 62.5 78.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.967 179.314 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -58.39 -37.73 75.88 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.421 -179.127 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 59.4 mmm -67.25 -60.06 2.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.128 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.6 -42.95 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.752 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 43.6 t -57.14 -44.92 83.84 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.298 -179.353 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.475 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 9.3 t-20 -78.89 -40.89 31.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.376 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.475 ' OXT' ' O ' ' B' ' 42' ' ' ASN . 5.8 tt . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.145 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.3 t0 54.34 64.75 1.71 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.49 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.02 -67.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.1 mt 55.54 106.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.351 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t -128.18 176.75 7.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.404 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 10' ' ' VAL . 95.4 mt-10 -51.2 -24.67 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.505 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.48 -27.98 64.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.063 0.459 . . . . 0.0 110.754 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -77.32 -55.25 5.56 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.568 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.5 mt -64.51 -32.59 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.188 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 6' ' ' GLU . 20.0 t -62.43 -50.56 79.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -53.94 -48.0 70.7 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.555 -0.458 . . . . 0.0 109.83 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.43 ' CZ ' ' O ' ' B' ' 32' ' ' ASN . 44.4 m-85 -66.84 -41.32 87.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.563 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -59.79 -43.78 94.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.222 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -60.23 -51.24 70.43 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.337 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.91 88.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.052 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 29.8 t80 -54.4 -49.51 69.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.076 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.85 -34.06 56.84 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.63 -43.35 93.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.166 0.508 . . . . 0.0 110.652 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.597 ' CE1' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -64.49 -37.85 88.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.499 179.723 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -96.05 81.47 3.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.439 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -54.68 -38.96 67.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.054 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.564 ' O ' ' C ' ' A' ' 23' ' ' GLY . 5.1 p30 -93.61 38.07 1.06 Allowed 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 4.41 68.86 0.01 OUTLIER Glycine 0 N--CA 1.466 0.668 0 O-C-N 123.729 0.643 . . . . 0.0 112.015 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 22' ' ' ASP . 75.1 m-20 -91.15 -23.31 20.3 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.59 -27.7 8.66 Favored Glycine 0 N--CA 1.465 0.613 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 m -135.46 130.85 35.38 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.05 0.452 . . . . 0.0 110.677 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.0 mt -76.26 136.25 25.12 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.571 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 29' ' ' VAL . 57.4 m -106.07 154.87 20.03 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.618 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.426 ' N ' HG22 ' A' ' 28' ' ' THR . 96.1 t -51.43 -44.51 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.085 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -58.84 -58.12 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.469 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 83.5 mt-10 -55.64 -41.66 73.9 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.597 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.9 tp -62.2 -40.52 96.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.061 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.5 96.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.3 m -58.76 -47.75 83.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.367 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.49 -46.02 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.598 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.509 ' CD1' HD11 ' A' ' 48' ' ' LEU . 92.1 mt -63.3 -43.98 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -59.42 -34.82 72.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.22 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 m -89.9 21.68 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.257 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -109.7 12.35 24.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 2.4 m-20 81.45 20.68 0.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 123.303 0.377 . . . . 0.0 110.632 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -157.31 153.61 27.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.28 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.548 HD22 ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -141.05 77.86 20.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 0.0 110.692 -179.704 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.86 156.88 59.56 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.931 2.421 . . . . 0.0 111.95 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 47' ' ' GLU . 9.3 t -63.84 141.21 58.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.732 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.672 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 1.6 pm0 -63.31 -22.93 67.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.419 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -56.39 -64.17 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.772 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' H ' HG23 ' A' ' 44' ' ' THR . 12.1 pt-20 -62.7 -31.79 72.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.367 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.509 HD11 ' CD1' ' A' ' 36' ' ' ILE . 6.2 tp -63.21 -47.54 82.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.597 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.05 -42.4 72.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.88 -42.34 85.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -62.15 -43.62 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.572 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.623 ' CD1' HD11 ' A' ' 63' ' ' ILE . 5.9 mm -65.15 -44.55 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.796 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.5 t -70.83 -23.14 62.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.649 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -63.7 -43.56 96.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.682 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.55 -49.75 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.608 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.5 104.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.775 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.561 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -48.68 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.416 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.529 ' O ' ' C ' ' A' ' 59' ' ' GLY . 41.9 p30 -64.29 10.57 0.06 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.874 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.561 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 19.96 59.98 0.01 OUTLIER Glycine 0 C--N 1.344 1.008 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.4 p-10 -76.03 -14.35 60.21 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.517 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.09 1.66 45.08 Favored Glycine 0 N--CA 1.463 0.437 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -139.93 146.31 39.04 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.945 0.403 . . . . 0.0 110.369 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.623 HD11 ' CD1' ' A' ' 52' ' ' ILE . 77.1 mt -95.36 121.62 46.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.532 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -84.65 159.54 20.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.088 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -47.85 -50.01 27.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -57.29 -38.29 73.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.849 0.357 . . . . 0.0 110.249 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -71.42 -45.74 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.584 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.36 -45.32 93.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.035 0.445 . . . . 0.0 110.279 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD23 ' C ' ' A' ' 69' ' ' LEU . 1.2 tt -57.72 -63.07 1.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.377 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.0 t -57.96 -41.2 82.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.74 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.0 tp -46.68 -57.01 5.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.819 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.9 mmm -79.44 -53.34 6.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.58 -39.46 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -71.68 -60.67 2.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.896 0.379 . . . . 0.0 110.78 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 76' ' ' VAL . 63.1 mttp -72.73 107.81 5.38 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 76' ' ' VAL . 56.0 t -157.28 73.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.907 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -122.17 -99.17 0.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.469 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -176.38 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.413 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 0.4 OUTLIER 73.28 -8.56 1.3 Allowed 'General case' 0 CA--C 1.53 0.185 0 O-C-N 123.45 0.469 . . . . 0.0 110.409 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 79' ' ' THR . 73.2 m-20 -152.24 104.7 2.97 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 110.107 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.06 -55.28 11.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.037 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -52.33 -20.98 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.914 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -81.21 -51.89 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.722 ' N ' HH22 ' B' ' 38' ' ' ARG . 3.0 tm-20 -71.92 -39.22 69.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.816 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.9 -37.01 83.56 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.387 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -84.65 -43.89 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.06 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 91' ' ' VAL . 12.9 tm-20 -57.3 -45.74 83.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.082 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.97 -57.42 11.78 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.047 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -53.28 -40.71 64.91 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.47 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -58.07 -38.4 76.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 87' ' ' GLU . 88.2 t -73.78 -46.12 48.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.582 ' CE1' HG11 ' A' ' 108' ' ' VAL . 52.1 m-85 -63.46 -49.68 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.449 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' A' ' 96' ' ' GLN . 34.2 t0 -89.59 57.77 4.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.262 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -39.43 -56.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.228 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -66.14 -8.97 27.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 93' ' ' ASP . 27.6 mt-30 49.06 61.63 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.283 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.451 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 37.1 p-10 -103.45 -5.9 22.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.519 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 99' ' ' TYR . . . 96.8 -0.67 61.01 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 6.0 m-85 -141.05 146.01 36.6 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.722 0.296 . . . . 0.0 110.294 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 mt -95.23 113.91 30.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 p -85.4 145.6 27.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.278 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -48.51 -45.54 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.1 p -57.94 -43.68 86.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.9 0.381 . . . . 0.0 111.045 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.11 -43.88 90.6 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.117 0.484 . . . . 0.0 110.167 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.45 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 50.8 tp -73.23 -27.25 61.49 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 102' ' ' ALA . 53.8 ttp180 -63.02 -46.09 89.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.503 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.426 ' C ' ' N ' ' A' ' 109' ' ' MET . 27.6 t-80 -67.89 -56.99 7.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.003 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.582 HG11 ' CE1' ' A' ' 92' ' ' PHE . 77.6 t -48.76 -16.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.426 ' N ' ' C ' ' A' ' 107' ' ' HIS . 5.3 tpt -90.25 -78.48 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.869 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.494 ' C ' ' H ' ' A' ' 112' ' ' LEU . 17.4 tt -50.91 -36.94 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.257 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.449 ' N ' HG23 ' A' ' 110' ' ' ILE . 27.8 t-20 -52.04 -9.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.493 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.494 ' H ' ' C ' ' A' ' 110' ' ' ILE . 92.2 mt -104.81 7.46 34.54 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.75 59.91 1.94 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -149.09 120.68 8.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -97.69 99.64 11.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.376 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.629 ' N ' HD12 ' A' ' 116' ' ' LEU . 6.3 mp -89.32 171.18 9.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.241 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.508 ' H ' ' HB2' ' A' ' 120' ' ' GLU . 59.4 p -120.3 164.29 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.443 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 34.0 p-10 -48.8 -43.84 38.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.64 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.0 mt-10 -64.87 -45.07 87.55 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.804 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.508 ' HB2' ' H ' ' A' ' 117' ' ' THR . 97.3 mt-10 -65.73 -40.2 91.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.524 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.22 -42.33 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.362 0.601 . . . . 0.0 110.268 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 95.8 mt-10 -62.39 -60.25 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.401 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.29 -26.36 68.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.527 0.679 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.467 ' SD ' ' CD ' ' B' ' 22' ' ' ARG . 4.7 tpt -59.26 -52.03 67.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.778 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 126' ' ' LYS . 18.7 tt -93.42 -37.75 8.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 65.1 tttm -60.19 -28.72 68.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.961 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -68.95 -50.4 49.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.664 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.43 ' HB2' ' NE1' ' B' ' 23' ' ' TRP . . . -68.28 -40.02 81.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.173 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 64.5 t0 -63.84 104.52 0.7 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.492 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 52.3 mt -75.09 -28.04 60.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.741 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.441 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 13.9 m-20 -88.73 -1.67 58.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.381 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.23 27.66 24.46 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.532 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.7 p-10 -88.63 19.29 4.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.772 0.32 . . . . 0.0 110.397 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.0 16.57 57.6 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -147.72 152.84 38.46 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.121 0.486 . . . . 0.0 110.45 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.3 t -117.67 124.7 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.545 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.599 ' H ' HD22 ' A' ' 137' ' ' ASN . 0.4 OUTLIER -86.93 156.66 19.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.457 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.436 ' CE2' HG21 ' A' ' 142' ' ' VAL . 53.1 t80 -53.12 -40.22 64.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.265 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -58.42 -48.83 79.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 0.0 110.447 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 97.7 mt-10 -61.94 -37.26 84.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.461 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -61.81 -48.97 78.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.651 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.436 HG21 ' CE2' ' A' ' 138' ' ' TYR . 53.3 t -57.89 -46.4 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.314 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -63.65 -36.59 84.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.857 0.36 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.511 ' O ' HG22 ' A' ' 148' ' ' VAL . 27.3 ttt -66.93 -33.64 76.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.599 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -20.99 37.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.48 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.547 ' O ' HG23 ' A' ' 148' ' ' VAL . 19.8 mmt -83.72 -91.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.328 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.612 ' C ' HG23 ' A' ' 148' ' ' VAL . 9.0 m -62.67 -52.15 64.45 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.268 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.612 HG23 ' C ' ' A' ' 147' ' ' THR . 2.4 t 76.93 -26.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 O-C-N 123.437 0.461 . . . . 0.0 111.418 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' A' ' 147' ' ' THR . 78.8 mtp85 . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.441 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -68.86 -25.94 64.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.486 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -68.12 -54.02 21.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.579 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.467 ' CD ' ' SD ' ' A' ' 124' ' ' MET . 11.6 ptp180 -60.17 -39.45 86.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.81 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.45 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -56.59 -49.42 74.94 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 120.511 -0.476 . . . . 0.0 109.923 179.101 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -65.88 -36.63 83.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.789 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m -60.17 -42.41 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.931 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.535 ' O ' HG23 ' B' ' 30' ' ' VAL . 32.3 t -61.42 -43.56 98.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.02 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.43 -43.24 81.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.405 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.1 t -64.35 -45.05 89.48 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.481 ' CG2' HD22 ' A' ' 112' ' ' LEU . 71.0 mt -62.38 -41.33 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.909 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 26' ' ' SER . 19.3 t -59.42 -40.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -59.98 -43.35 95.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.046 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.43 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 84.5 m-20 -65.28 -41.64 93.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.173 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' B' ' 34' ' ' ALA . 70.8 ttt180 -68.98 -45.16 71.36 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.477 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 35.31 74.37 0.07 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -67.69 -12.92 61.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.908 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.495 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 42.6 ttm180 -105.64 -8.07 18.13 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.158 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.495 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.8 OUTLIER 67.53 69.91 0.36 Allowed 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.055 0.455 . . . . 0.0 110.373 179.349 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.722 HH22 ' N ' ' A' ' 84' ' ' GLU . 62.5 mtp85 -52.91 -41.17 64.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.907 0.384 . . . . 0.0 110.515 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 8.3 tpt -65.99 -62.31 1.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.183 0.516 . . . . 0.0 111.38 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.92 -43.62 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.622 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 36.0 t -57.66 -42.24 83.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.21 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -64.19 -40.19 95.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.359 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.415 -179.854 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 16.3 p-10 -53.91 140.39 30.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.509 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.739 HG22 ' H ' ' A' ' 4' ' ' LEU . 21.5 mm 60.08 176.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.739 ' H ' HG22 ' A' ' 3' ' ' ILE . 2.1 pp -173.45 2.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.483 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 7' ' ' GLU . 3.5 m -84.59 143.51 29.23 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.517 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 10' ' ' VAL . 95.9 mt-10 -52.28 -8.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.656 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.547 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 16.2 mp0 -67.84 -45.11 75.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.599 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.536 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 15.6 pt20 -53.37 -49.21 67.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.536 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 37.7 mm -62.42 -41.95 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.806 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 6' ' ' GLU . 24.4 t -58.35 -48.33 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.071 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.571 ' CG ' HH12 ' B' ' 33' ' ' ARG . 89.9 m-20 -52.31 -52.66 51.79 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.19 0.519 . . . . 0.0 110.039 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -62.54 -39.54 93.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.329 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -58.92 -42.73 90.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.144 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -57.52 -51.73 68.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.371 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.78 -43.48 69.3 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.389 0.614 . . . . 0.0 110.406 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -60.33 -45.35 93.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.231 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.18 -39.85 58.81 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.55 -43.11 99.63 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.525 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 22.9 m-85 -67.03 -40.83 87.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.732 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.472 ' OD2' ' O ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -89.78 74.29 7.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.898 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 15.8 pttp -58.65 -40.56 83.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.433 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.544 ' O ' ' C ' ' A' ' 23' ' ' GLY . 2.4 p30 -92.65 33.32 1.14 Allowed 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 17.43 66.67 0.01 OUTLIER Glycine 0 N--CA 1.465 0.621 0 O-C-N 123.344 0.402 . . . . 0.0 112.228 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 53.9 m-20 -92.32 -29.87 16.13 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.65 11.15 20.04 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.472 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 23.5 p -167.09 171.95 10.52 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.906 0.384 . . . . 0.0 110.53 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.1 mt -117.24 123.01 71.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.968 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.622 ' HA ' HG22 ' A' ' 62' ' ' THR . 0.2 OUTLIER -98.39 -167.64 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.018 0.437 . . . . 0.0 110.797 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.487 ' H ' HG22 ' A' ' 28' ' ' THR . 47.6 t -84.07 -45.63 18.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.583 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.54 -41.19 96.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.224 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 80.9 mt-10 -65.57 -49.34 69.21 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.064 0.459 . . . . 0.0 110.216 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 52' ' ' ILE . 5.9 tp -60.97 -38.83 87.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.969 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.14 94.25 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.122 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -56.87 -48.87 77.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.312 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.434 ' O ' ' OG ' ' A' ' 38' ' ' SER . 91.4 t -61.78 -45.57 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.383 . . . . 0.0 110.453 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.3 -44.28 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.748 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 82.0 mtp180 -62.42 -37.77 87.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.767 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.66 ' C ' ' H ' ' A' ' 40' ' ' ASP . 78.6 p -66.33 -30.58 71.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.359 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.55 14.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.802 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.66 ' H ' ' C ' ' A' ' 38' ' ' SER . 1.4 m-20 70.59 44.11 0.7 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 13.7 tp60 -146.85 158.17 43.85 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.717 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -136.56 71.41 58.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.902 0.382 . . . . 0.0 110.05 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -78.51 154.21 27.43 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.766 2.311 . . . . 0.0 112.516 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.561 HG22 ' H ' ' A' ' 46' ' ' GLU . 89.5 m -68.28 135.58 52.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.518 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -54.99 -39.6 69.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.496 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.561 ' H ' HG22 ' A' ' 44' ' ' THR . 71.8 mm-40 -48.95 -41.4 33.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.828 0.347 . . . . 0.0 110.335 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.38 -32.61 74.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.54 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 48' ' ' LEU . 10.3 mp -72.61 -44.44 61.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.787 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.81 -36.59 83.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.412 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.48 -49.53 66.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.636 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.2 ttp -65.88 -43.04 89.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.648 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.77 HD11 HD22 ' A' ' 32' ' ' LEU . 12.4 mm -66.22 -43.23 91.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.38 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -68.01 -35.4 78.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.879 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.91 -40.17 75.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.936 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 55' ' ' VAL . 62.0 t -93.7 -5.98 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.216 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 44.8 t0 -77.79 98.11 5.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.57 2.07 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 26.5 p30 -129.02 12.8 6.2 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.785 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 41.37 47.57 4.59 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 62' ' ' THR . 41.2 p-10 -108.68 12.56 25.73 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 43.75 17.59 0.06 OUTLIER Glycine 0 N--CA 1.461 0.353 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.622 HG22 ' HA ' ' A' ' 28' ' ' THR . 10.8 p -137.53 138.65 39.85 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 111.094 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.68 HD11 HD13 ' A' ' 52' ' ' ILE . 83.0 mt -97.21 124.12 49.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.625 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -86.57 168.1 13.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.339 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -53.32 -47.29 69.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.486 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -59.38 -39.35 83.04 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 120.946 0.403 . . . . 0.0 110.397 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -73.28 -47.25 44.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.567 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -57.51 -44.65 85.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.001 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.8 tt -58.17 -57.59 12.17 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.998 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.1 m -60.17 -41.7 93.4 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.2 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.8 tt -49.14 -57.99 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.635 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mmt -69.84 -42.84 73.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.179 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.99 90.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.675 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -74.71 -61.19 1.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -77.81 124.25 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.028 0.442 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 77' ' ' LYS . 11.1 t -141.65 -123.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.321 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.518 ' N ' HG12 ' A' ' 76' ' ' VAL . 31.8 ttpt -33.61 146.83 0.02 OUTLIER 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.191 0.307 . . . . 0.0 110.577 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.499 ' O ' ' OG1' ' A' ' 79' ' ' THR . 96.2 m-20 -130.07 22.13 5.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.455 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.508 ' H ' ' HG2' ' A' ' 77' ' ' LYS . 16.9 p 60.05 66.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.332 0.395 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -151.62 107.49 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.56 -55.28 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -53.1 -23.2 7.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.45 ' OE2' ' ND2' ' B' ' 42' ' ' ASN . 45.3 tt0 -81.29 -53.5 6.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.071 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.491 ' CD ' ' NZ ' ' B' ' 31' ' ' LYS . 85.5 tt0 -71.48 -35.05 70.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.393 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.59 -41.22 88.85 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.447 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -84.18 -46.59 11.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.221 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 91' ' ' VAL . 84.0 tt0 -58.93 -42.29 89.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.069 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.13 -56.39 15.2 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.15 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -57.0 -41.2 78.03 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.29 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.82 -36.55 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.284 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 87' ' ' GLU . 90.5 t -74.09 -54.42 14.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.768 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 5.9 m-30 -55.71 -47.38 76.95 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 96' ' ' GLN . 37.8 t0 -85.48 62.46 7.49 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.261 0.35 . . . . 0.0 110.507 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -40.61 -59.2 1.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.83 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 19.9 p-10 -63.05 -3.98 2.02 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.564 ' N ' ' O ' ' A' ' 93' ' ' ASP . 3.4 pt20 35.72 59.02 0.87 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.665 0.603 . . . . 0.0 110.721 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -100.06 3.63 44.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.21 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.22 0.25 63.45 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.423 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 4.8 m-85 -143.24 148.5 36.52 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.804 0.335 . . . . 0.0 110.402 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.5 mt -97.56 115.31 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.115 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 p -87.07 153.89 21.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.389 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.46 -44.55 89.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.719 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.3 t -61.56 -45.36 94.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -59.98 -53.06 62.25 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.175 0.512 . . . . 0.0 110.401 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.77 -20.61 65.9 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.347 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.48 ' O ' HG22 ' A' ' 110' ' ' ILE . 61.7 ttp180 -82.14 -44.0 17.04 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.429 ' O ' ' OD1' ' A' ' 111' ' ' ASN . 4.0 m80 -54.33 -51.97 63.03 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 109' ' ' MET . 15.4 t -62.4 -63.94 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.951 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 108' ' ' VAL . 6.7 tpt -31.37 -75.59 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.737 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.516 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.668 HG23 ' N ' ' A' ' 111' ' ' ASN . 19.7 tt -47.19 -50.62 6.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.629 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.668 ' N ' HG23 ' A' ' 110' ' ' ILE . 9.1 m120 -47.15 -8.7 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.007 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' A' ' 110' ' ' ILE . 90.4 mt -91.61 11.98 22.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 91.99 -46.3 2.68 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -53.35 124.05 13.64 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.993 0.425 . . . . 0.0 110.297 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -98.83 103.04 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 110.468 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 mt -116.06 130.54 56.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.7 p -64.51 168.18 6.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.438 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 46.4 p-10 -66.7 -23.76 66.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.516 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.418 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.2 mt-10 -68.52 -48.43 64.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.706 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.9 -44.36 85.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.618 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.2 t -62.69 -47.87 90.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.636 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -62.86 -35.0 78.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.524 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -59.43 -54.14 50.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.618 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.49 ' C ' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -54.46 -39.73 67.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.691 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.44 ' N ' ' HG3' ' A' ' 124' ' ' MET . 2.4 mm -61.78 -41.42 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.387 -176.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -63.53 -33.56 75.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.146 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -75.93 -53.21 8.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.536 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -62.21 -37.54 85.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.398 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 56.9 t0 -74.97 105.55 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.08 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 130' ' ' LEU . 10.6 mp -66.34 -39.89 89.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.816 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 11.7 m-20 -86.36 1.58 50.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.376 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 49.4 34.76 19.72 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.528 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 15.1 p-10 -96.7 20.41 10.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.745 0.307 . . . . 0.0 110.327 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.519 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 59.84 19.89 51.26 Favored Glycine 0 C--N 1.332 0.313 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -145.15 145.62 31.44 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.909 0.385 . . . . 0.0 110.466 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.3 t -123.54 126.33 72.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.684 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.416 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 11.5 t-20 -88.11 158.61 18.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.628 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -51.9 -41.92 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.233 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -60.37 -49.79 76.2 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.948 0.404 . . . . 0.0 110.393 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 93.2 mt-10 -60.71 -38.63 85.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.41 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -60.88 -47.32 86.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.733 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.9 t -57.88 -47.02 87.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.347 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -65.16 -36.52 84.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 111.08 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.429 ' SD ' ' C ' ' A' ' 144' ' ' MET . 1.0 OUTLIER -69.28 -35.25 75.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.538 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.7 ttm -75.96 -24.22 55.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.85 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.734 ' O ' HG23 ' A' ' 148' ' ' VAL . 81.8 mmm -89.36 -151.58 0.23 Allowed 'General case' 0 C--O 1.203 -1.354 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.903 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.68 ' O ' ' HB ' ' A' ' 148' ' ' VAL . 2.8 m -2.98 -59.87 0.0 OUTLIER 'General case' 0 CA--C 1.496 -1.115 0 O-C-N 124.168 0.918 . . . . 0.0 112.085 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 146' ' ' MET . 77.7 t 97.64 1.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.351 0.671 0 O-C-N 125.335 1.647 . . . . 0.0 109.633 178.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.617 ' HG2' HG22 ' A' ' 147' ' ' THR . 37.6 ptt-85 . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.675 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.0 ptt-85 -63.26 -36.15 82.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -65.14 -44.71 87.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.556 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -60.54 -42.98 97.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.288 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.536 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 1.5 m95 -62.27 -50.32 72.16 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.194 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -65.95 -35.02 79.45 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.058 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.0 t -61.23 -44.56 97.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.046 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.451 ' O ' HG23 ' B' ' 30' ' ' VAL . 61.7 m -59.26 -45.2 91.85 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.306 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -68.4 -42.74 84.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -61.08 -42.03 97.74 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.666 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.4 ' CG2' HD22 ' A' ' 112' ' ' LEU . 72.7 mt -61.66 -42.09 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.192 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 34' ' ' ALA . 55.5 t -58.52 -42.55 84.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.787 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.491 ' NZ ' ' CD ' ' A' ' 84' ' ' GLU . 23.8 mttp -60.12 -45.59 92.48 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.158 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -70.01 -32.84 71.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.131 0.491 . . . . 0.0 110.063 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.571 HH12 ' CG ' ' A' ' 11' ' ' ASP . 34.7 ttm-85 -101.8 16.12 26.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.564 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 30' ' ' VAL . . . -36.38 91.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.999 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' B' ' 33' ' ' ARG . 58.4 ttp180 -74.09 -16.12 61.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.167 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.484 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 53.7 ttm-85 -94.49 -4.31 48.37 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.062 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.484 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.2 OUTLIER 61.28 67.73 0.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.291 0.567 . . . . 0.0 110.23 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 21.9 mtp-105 -52.94 -42.31 65.3 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.534 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.0 tpt -64.63 -62.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.424 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 97.4 mt -62.92 -43.89 99.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.697 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 93.2 p -57.13 -46.07 82.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.111 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.45 ' ND2' ' OE2' ' A' ' 83' ' ' GLU . 99.1 m-20 -65.56 -41.15 93.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 110.656 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.453 ' C ' HD23 ' B' ' 43' ' ' LEU . 1.8 tt . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.388 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.4 t0 46.36 82.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.659 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.8 mm -50.19 155.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.5 mt -143.31 45.97 1.52 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.829 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.487 ' C ' ' H ' ' A' ' 7' ' ' GLU . 34.1 t -73.24 139.75 46.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.613 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.586 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 49.0 mp0 -50.42 -9.78 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.704 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 5' ' ' SER . 73.2 mm-40 -69.72 -49.85 49.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.706 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.513 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 1.7 pt20 -49.86 -45.92 50.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.015 0.436 . . . . 0.0 110.028 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.513 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 36.6 mm -65.32 -43.15 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.274 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 6' ' ' GLU . 18.3 t -57.87 -47.01 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -57.25 -53.84 53.54 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.159 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.495 ' CZ ' ' ND2' ' B' ' 32' ' ' ASN . 26.9 m-85 -59.5 -43.49 93.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.905 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.74 -39.93 93.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.457 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -58.19 -51.54 69.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.317 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.43 82.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.386 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.79 -49.54 77.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.407 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.71 -34.52 70.73 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.558 ' O ' HD23 ' A' ' 18' ' ' LEU . 5.6 tt -62.95 -52.21 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.221 0.534 . . . . 0.0 110.713 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.464 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 6.9 m-85 -55.14 -32.82 62.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.46 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -102.98 81.95 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' A' ' 21' ' ' LYS . 5.3 mtmp? -62.44 -17.06 58.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.274 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 24' ' ' ASP . 45.3 p-10 -114.02 33.05 5.46 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.639 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.78 53.54 0.01 OUTLIER Glycine 0 N--CA 1.475 1.296 0 O-C-N 124.278 0.986 . . . . 0.0 111.582 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 52.3 p-10 -76.5 -28.06 56.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.391 . . . . 0.0 110.471 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 110.53 8.19 25.1 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.1 p -162.91 166.31 24.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.822 0.344 . . . . 0.0 110.382 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 mt -112.48 114.36 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.961 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.56 ' HA ' HG22 ' A' ' 62' ' ' THR . 26.1 m -91.87 151.95 20.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.89 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 t -50.64 -44.88 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.737 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -62.82 -51.89 65.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.52 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -55.45 -43.36 75.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.178 0.513 . . . . 0.0 109.86 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD22 HD11 ' A' ' 52' ' ' ILE . 5.9 tp -63.61 -35.54 80.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.275 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.53 87.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.0 m -59.24 -46.11 89.37 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.233 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.4 t -60.15 -46.01 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 40' ' ' ASP . 82.8 mt -60.45 -41.7 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.82 0.343 . . . . 0.0 110.218 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.529 ' O ' ' O ' ' A' ' 40' ' ' ASP . 71.9 ttp85 -57.94 -35.97 71.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.232 0.539 . . . . 0.0 109.808 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 p -66.44 -38.51 87.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.28 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 pp -103.9 6.75 36.62 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.06 0.457 . . . . 0.0 111.106 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ILE . 14.9 t70 -163.56 174.56 11.64 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 121.18 0.514 . . . . 0.0 110.732 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.92 -94.35 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.602 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.449 ' ND2' ' N ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -178.43 83.4 0.22 Allowed Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 42' ' ' ASN . 53.2 Cg_exo -54.41 -153.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.741 2.294 . . . . 0.0 111.802 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.5 t -107.98 145.02 34.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.291 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -58.38 -19.08 32.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.726 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -65.39 -47.34 76.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' H ' HG23 ' A' ' 44' ' ' THR . 1.6 mp0 -67.01 -28.5 68.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.047 0.451 . . . . 0.0 110.624 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.3 mt -78.76 -53.62 6.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -66.19 -28.83 69.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.228 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -68.29 -53.58 23.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.5 mtp -57.25 -46.49 82.98 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.779 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.529 HG13 HD11 ' A' ' 63' ' ' ILE . 1.5 mp -69.01 -30.64 47.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 t -72.11 -44.08 63.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 123.426 0.454 . . . . 0.0 110.996 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -58.56 -38.33 77.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 t -112.51 50.96 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -105.64 108.34 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . . . -88.29 -16.92 31.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.242 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' OD2' ' OE2' ' A' ' 67' ' ' GLU . 4.2 m-20 -120.61 16.4 11.99 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.628 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.74 34.95 0.05 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.467 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 42.7 p-10 -101.77 11.06 39.37 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-O 120.53 0.205 . . . . 0.0 110.706 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.98 20.01 47.26 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 28' ' ' THR . 66.1 p -137.17 158.11 45.17 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.548 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.529 HD11 HG13 ' A' ' 52' ' ' ILE . 71.4 mt -105.8 129.73 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.216 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' GLU . 42.8 tt0 -95.5 156.09 16.47 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.182 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -42.49 -49.89 5.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 110.685 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -62.02 -36.2 80.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.852 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' OE2' ' HB3' ' A' ' 57' ' ' ALA . 95.4 mt-10 -72.54 -44.77 61.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.398 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.27 -42.7 99.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.797 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -59.96 -58.49 8.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.545 -179.14 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 36.3 t -63.35 -39.98 96.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.15 0.5 . . . . 0.0 110.47 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tt -56.46 -43.62 79.74 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.747 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -61.32 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.303 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -51.55 -47.89 63.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.181 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 70' ' ' SER . 51.2 tttm -65.55 9.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.725 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 73' ' ' ALA . 52.4 mtmt -147.84 52.66 1.04 Allowed 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.992 -0.443 . . . . 0.0 110.718 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 78' ' ' ASP . 39.1 t -138.58 -70.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.482 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 76' ' ' VAL . 16.2 pttt 31.0 -90.93 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 O-C-N 124.002 0.814 . . . . 0.0 110.418 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -127.84 -50.02 1.35 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.881 179.656 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.7 m 68.93 -62.17 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.37 0.419 . . . . 0.0 110.548 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -173.03 141.78 1.0 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.53 -54.29 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.775 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -56.94 -20.61 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.11 0.481 . . . . 0.0 110.485 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -81.51 -53.44 6.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.148 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -71.43 -36.19 71.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.109 0.481 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.88 -37.29 78.94 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.128 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -82.85 -40.73 19.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.087 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 91' ' ' VAL . 49.6 tp10 -62.3 -40.81 97.52 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.216 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -66.16 -58.09 6.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.03 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -54.3 -41.49 69.0 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.253 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -58.46 -35.71 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.491 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 87' ' ' GLU . 64.4 t -74.88 -51.66 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.937 0.399 . . . . 0.0 111.011 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 5.9 m-85 -59.21 -46.92 87.17 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.214 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 96' ' ' GLN . 35.7 t0 -84.83 63.22 7.91 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.172 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -42.38 -58.56 2.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.843 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -66.83 -2.57 5.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.968 0.413 . . . . 0.0 110.937 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 93' ' ' ASP . 88.7 mt-30 42.17 42.24 2.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.65 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 41.0 p-10 -80.1 -2.24 43.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.736 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.5 -3.36 65.8 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.414 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 2.8 m-85 -139.74 146.22 39.27 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.5 mt -95.29 116.86 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.8 p -87.11 153.34 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.248 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.58 -44.99 81.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 68.7 m -59.47 -42.72 92.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.715 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.19 -50.85 64.34 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.095 0.474 . . . . 0.0 110.35 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.483 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 48.6 tp -67.78 -25.89 65.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.351 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.512 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.5 ttm180 -78.41 -45.39 22.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.248 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 103' ' ' SER . 42.3 m-70 -55.33 -49.25 72.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.811 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.571 ' O ' ' N ' ' A' ' 112' ' ' LEU . 48.7 t -61.76 -63.9 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.968 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -33.34 -75.39 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.56 0.538 . . . . 0.0 111.105 -179.482 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.616 HG23 ' N ' ' A' ' 111' ' ' ASN . 19.8 tt -49.79 -47.74 22.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.521 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.616 ' N ' HG23 ' A' ' 110' ' ' ILE . 58.2 t30 -65.75 -13.69 59.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.248 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' A' ' 108' ' ' VAL . 14.1 tp -84.08 -123.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.336 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -129.27 40.25 1.72 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -161.3 122.2 2.79 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -96.28 102.62 14.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.454 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.6 mt -106.51 129.3 54.49 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.178 0.513 . . . . 0.0 110.441 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.0 p -66.03 174.13 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.347 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.54 -33.25 75.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.48 -46.93 68.39 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.657 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.8 -43.88 97.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.103 0.478 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.512 HG11 ' HE ' ' A' ' 106' ' ' ARG . 76.5 t -64.29 -45.4 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.159 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 126' ' ' LYS . 37.3 tp10 -62.83 -23.11 67.12 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.203 0.525 . . . . 0.0 110.086 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -74.45 -57.21 4.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.457 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 19.9 ttp -55.92 -48.81 75.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.297 -178.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 126' ' ' LYS . 9.7 tp -60.23 -41.54 87.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.117 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.45 ' N ' HG23 ' A' ' 125' ' ' ILE . 24.1 mmtp -65.32 -40.28 93.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -72.0 -47.48 51.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.488 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -62.39 -36.08 81.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.468 ' OD2' ' OD1' ' A' ' 133' ' ' ASP . 52.8 t0 -75.9 104.3 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.52 ' CD1' ' HZ1' ' A' ' 143' ' ' LYS . 95.4 mt -72.79 -32.37 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.011 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 5.5 p30 -97.26 -0.86 45.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.691 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 50.8 32.79 26.48 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.468 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 36.6 p-10 -70.84 -13.44 62.04 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.526 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.74 -1.26 52.38 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -152.72 132.73 13.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.2 t -79.92 126.69 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.158 0.504 . . . . 0.0 110.413 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.595 HD22 ' N ' ' A' ' 137' ' ' ASN . 0.8 OUTLIER -88.82 155.09 19.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.387 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -50.96 -41.5 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.231 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.04 -48.61 79.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.929 0.395 . . . . 0.0 110.328 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.78 -37.45 87.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.063 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.87 -48.14 82.91 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.103 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.35 -47.19 88.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.004 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.52 ' HZ1' ' CD1' ' A' ' 130' ' ' LEU . 7.8 mtpm? -64.42 -30.68 71.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.273 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 144' ' ' MET . 1.4 tmt? -71.9 -26.81 62.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.483 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 146' ' ' MET . 0.7 OUTLIER -87.37 -19.67 27.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.641 -179.459 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 145' ' ' MET . 14.4 mtt -50.54 -153.64 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.402 0.62 . . . . 0.0 110.883 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.525 HG23 ' N ' ' A' ' 148' ' ' VAL . 15.4 t -71.19 -42.21 69.3 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.89 -0.506 . . . . 0.0 111.217 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.525 ' N ' HG23 ' A' ' 147' ' ' THR . 53.2 t 49.15 100.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.279 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.488 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -61.3 -42.53 98.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.468 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -63.59 -38.88 92.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.542 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -61.87 -46.02 91.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.488 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 5.0 m95 -64.47 -47.31 79.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.977 0.418 . . . . 0.0 109.92 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -64.31 -38.39 90.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.785 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.9 t -61.07 -44.8 96.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.134 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.594 ' O ' HG23 ' B' ' 30' ' ' VAL . 60.3 p -59.34 -44.19 92.67 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.436 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.97 -44.33 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.726 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.3 m -66.16 -40.51 90.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.348 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.43 -41.95 93.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.05 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 26' ' ' SER . 42.4 t -60.06 -46.62 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.713 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.71 -27.18 63.78 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.818 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.495 ' ND2' ' CZ ' ' A' ' 12' ' ' PHE . 1.8 t-20 -80.34 -33.03 37.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.392 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.469 ' NH1' ' C ' ' A' ' 112' ' ' LEU . 76.9 mtp180 -85.13 -49.63 8.09 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.23 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' B' ' 36' ' ' ARG . . . 36.2 56.46 1.04 Allowed 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 120.81 0.338 . . . . 0.0 110.8 -179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -53.09 -12.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.25 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.428 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 90.4 mtm-85 -108.9 -7.79 15.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.72 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.464 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 64.35 51.23 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.259 179.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -39.06 -33.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.478 ' O ' ' N ' ' B' ' 43' ' ' LEU . 5.1 ttp -72.36 -64.68 0.9 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.46 -42.72 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.372 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -56.99 -43.21 81.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.235 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.481 ' O ' ' C ' ' B' ' 43' ' ' LEU . 29.5 m120 -93.77 -4.12 50.87 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.752 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.594 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -112.25 46.8 1.13 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.0 mt -78.03 -50.33 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.9 mt -81.89 -107.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.316 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 7' ' ' GLU . 2.6 m -143.69 140.63 30.13 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.0 mt-10 -41.3 -25.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.788 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 8' ' ' GLN . 11.6 pt-20 -62.2 -49.84 74.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.407 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.531 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 15.4 mm100 -51.12 -52.83 39.98 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -59.36 -42.62 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.448 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 6' ' ' GLU . 29.2 t -59.33 -50.65 79.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.098 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -53.89 -48.31 70.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -65.95 -43.32 88.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -56.71 -43.07 80.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.652 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.89 -50.45 68.7 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.683 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.38 -42.57 67.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.14 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -59.15 -47.09 86.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.216 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.98 -39.39 56.89 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.74 -43.03 94.69 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -68.79 -43.07 76.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.373 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 40.2 t0 -88.08 75.92 8.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.751 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.51 -42.27 82.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.917 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' GLY . 48.2 p-10 -90.59 36.73 0.9 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.783 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.26 65.49 0.01 OUTLIER Glycine 0 C--N 1.345 1.034 0 O-C-N 124.277 0.985 . . . . 0.0 112.174 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 52.6 p-10 -93.99 -21.8 18.95 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 114.64 -27.47 8.78 Favored Glycine 0 N--CA 1.467 0.718 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.6 m -136.92 131.57 33.25 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.3 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.1 mt -75.45 133.44 31.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -99.59 152.99 19.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.7 t -49.86 -44.68 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.971 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -60.12 -55.19 36.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.283 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -51.87 -40.87 61.32 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.35 -41.4 98.86 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.497 0.665 . . . . 0.0 110.169 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.0 96.28 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.079 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.2 m -57.61 -44.47 85.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.013 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.55 -47.02 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.513 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.402 ' CD1' HD12 ' A' ' 32' ' ' LEU . 72.6 mt -64.65 -44.4 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -62.14 -39.27 92.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.659 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.57 ' C ' ' H ' ' A' ' 40' ' ' ASP . 53.0 p -69.17 -29.43 67.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.427 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.62 18.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.77 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.57 ' H ' ' C ' ' A' ' 38' ' ' SER . 3.9 m-20 70.11 62.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.988 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -165.86 162.12 18.16 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.746 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -144.71 62.97 10.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.826 0.346 . . . . 0.0 110.397 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -75.54 157.46 40.52 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 123.065 2.51 . . . . 0.0 111.934 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 47' ' ' GLU . 15.0 t -69.63 138.89 53.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.744 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' A' ' 48' ' ' LEU . 72.1 tt0 -56.39 -44.06 79.86 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.429 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -39.75 -45.22 1.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.799 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.518 ' H ' HG23 ' A' ' 44' ' ' THR . 96.1 mt-10 -68.42 -31.41 70.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.739 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 45' ' ' GLU . 48.6 mt -76.32 -46.13 29.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -64.68 -37.27 87.0 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.787 0.327 . . . . 0.0 110.72 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 54' ' ' GLU . 30.3 t70 -70.33 -52.24 24.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.2 ttp -57.56 -41.45 81.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.868 0.366 . . . . 0.0 110.695 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.422 HD13 HD11 ' A' ' 63' ' ' ILE . 9.0 mm -64.0 -41.89 93.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.3 m -87.38 -13.07 44.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.402 0.439 . . . . 0.0 110.764 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' ASP . 84.5 tt0 -57.91 -43.35 86.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.693 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.626 HG21 HD21 ' A' ' 71' ' ' LEU . 47.1 t -95.23 -38.39 8.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 20.6 t70 -39.58 106.34 0.05 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.207 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.17 6.31 33.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.726 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.9 p30 -129.14 14.22 6.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.181 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.489 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 32.74 40.38 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.519 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 12.1 m120 -78.99 -33.63 44.86 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.83 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.03 -5.91 58.07 Favored Glycine 0 N--CA 1.468 0.813 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.6 p -137.22 138.26 39.96 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.655 0.264 . . . . 0.0 110.357 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.422 HD11 HD13 ' A' ' 52' ' ' ILE . 82.2 mt -87.3 124.28 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.748 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -85.62 162.27 18.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.096 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -49.74 -48.06 50.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.434 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.36 -38.34 83.54 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.895 0.378 . . . . 0.0 110.212 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' OE2' ' OD2' ' A' ' 58' ' ' ASP . 96.8 mt-10 -72.46 -46.59 54.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -57.87 -44.74 86.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.933 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.2 tt -58.21 -54.65 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.173 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -59.0 -41.64 88.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.186 0.517 . . . . 0.0 110.318 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.626 HD21 HG21 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -51.24 -58.34 6.43 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.318 -178.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -41.52 70.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.728 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.41 78.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.867 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -70.8 -60.07 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.305 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 76' ' ' VAL . 27.9 mtmt -76.4 111.02 11.41 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 78' ' ' ASP . 23.8 t -155.91 -67.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.846 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' VAL . 65.1 tttm 33.45 -90.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.735 0.647 . . . . 0.0 110.99 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 80' ' ' ASP . 20.0 t0 -163.58 -19.13 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.523 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.517 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 4.7 p 63.12 -66.48 0.09 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.266 0.354 . . . . 0.0 110.595 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 78' ' ' ASP . 51.3 m-20 -162.17 142.37 10.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.669 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.66 -57.55 9.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -51.85 -20.91 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.05 0.452 . . . . 0.0 111.035 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -81.97 -54.2 5.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -68.39 -38.28 81.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.021 0.439 . . . . 0.0 110.646 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.82 -36.69 80.82 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.181 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -83.06 -45.21 14.29 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.302 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 91' ' ' VAL . 67.9 mm-40 -59.79 -39.83 86.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.204 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -58.85 4.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 33.2 t80 -54.97 -38.88 68.36 Favored 'General case' 0 CA--C 1.527 0.096 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.596 ' HZ1' HE22 ' A' ' 96' ' ' GLN . 28.9 tptt -60.88 -39.05 87.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.255 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 87' ' ' GLU . 70.2 t -74.01 -53.52 17.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.522 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -60.19 -48.5 81.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.927 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 96' ' ' GLN . 7.7 t0 -79.34 56.11 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -39.97 -60.65 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.613 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 6.3 p-10 -66.47 -6.59 15.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.091 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.596 HE22 ' HZ1' ' A' ' 90' ' ' LYS . 38.1 mt-30 46.12 57.96 4.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.475 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -96.64 -1.75 46.11 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.412 ' O ' ' OD1' ' A' ' 137' ' ' ASN . . . 91.63 3.23 69.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -144.06 148.63 35.43 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 122.681 -0.305 . . . . 0.0 110.392 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.3 mt -97.81 116.75 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 m -88.56 147.56 24.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.327 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.01 -45.42 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.9 t -59.9 -41.71 92.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.993 0.425 . . . . 0.0 110.547 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -63.72 -53.94 43.21 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.105 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.561 HD22 ' CH2' ' B' ' 23' ' ' TRP . 51.1 tp -67.6 -22.83 65.34 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.764 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.509 ' O ' HG22 ' A' ' 110' ' ' ILE . 62.9 ttp180 -83.38 -39.98 19.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.63 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.73 ' CE1' HD21 ' A' ' 111' ' ' ASN . 84.4 t60 -59.01 -47.07 86.54 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 109' ' ' MET . 61.7 t -63.43 -61.91 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.13 0 N-CA-C 109.128 -0.694 . . . . 0.0 109.128 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.9 OUTLIER -32.17 -74.92 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.388 0.43 . . . . 0.0 110.746 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.622 HG23 ' N ' ' A' ' 111' ' ' ASN . 15.1 tt -47.23 -49.35 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.713 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.73 HD21 ' CE1' ' A' ' 107' ' ' HIS . 93.9 m-20 -57.88 -10.39 1.72 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.323 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.6 mp -110.37 6.99 22.73 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.733 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.63 68.33 1.34 Allowed Glycine 0 CA--C 1.52 0.357 0 N-CA-C 111.324 -0.711 . . . . 0.0 111.324 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.447 ' CD ' ' SD ' ' A' ' 109' ' ' MET . 1.7 mt-10 -167.81 107.85 0.56 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.768 0.318 . . . . 0.0 110.398 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -101.58 100.55 10.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.971 0.415 . . . . 0.0 110.634 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.553 ' N ' HD12 ' A' ' 116' ' ' LEU . 10.4 mp -94.37 135.56 35.65 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.8 p -76.38 165.29 25.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.463 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -46.8 -53.51 11.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.637 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' ' 119' ' ' GLU . 56.8 mp0 -58.81 -41.42 86.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.836 0.351 . . . . 0.0 110.443 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -65.46 -40.05 92.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.708 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.07 -42.46 93.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.07 0.462 . . . . 0.0 110.087 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 82.3 tt0 -61.94 -60.7 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.423 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.67 -28.02 68.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.402 0.62 . . . . 0.0 110.528 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.4 tpt -60.73 -52.51 64.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.995 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.5 tt -91.27 -34.22 6.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.177 0.513 . . . . 0.0 111.274 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 87.6 tttt -63.1 -22.9 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.029 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -72.3 -52.73 14.95 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.308 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.489 ' HB2' ' NE1' ' B' ' 23' ' ' TRP . . . -58.05 -37.26 74.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.179 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.452 ' OD1' ' OE1' ' A' ' 140' ' ' GLU . 11.5 m-20 -81.83 104.24 12.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.523 HD12 ' N ' ' A' ' 130' ' ' LEU . 10.3 mp -64.62 -41.72 96.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.153 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -89.54 -3.64 58.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.366 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 133' ' ' ASP . . . 78.43 -144.31 28.0 Favored Glycine 0 CA--C 1.495 -1.206 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 132' ' ' GLY . 13.0 m-20 94.8 1.88 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 O-C-N 125.013 1.067 . . . . 0.0 111.045 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.57 16.49 29.71 Favored Glycine 0 C--N 1.331 0.283 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.41 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 23.4 mt-30 -143.59 137.53 28.43 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.094 0.473 . . . . 0.0 110.511 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.6 t -109.64 122.04 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.643 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 98' ' ' GLY . 58.9 t30 -84.57 157.54 21.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.533 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -48.49 -45.41 36.86 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.322 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.98 -45.63 94.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.139 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.452 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 96.1 mt-10 -64.18 -38.2 90.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.164 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -62.43 -48.05 81.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 146' ' ' MET . 53.8 t -58.41 -46.05 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.362 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.26 -36.47 82.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.815 0.341 . . . . 0.0 111.026 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.48 ' SD ' ' O ' ' A' ' 144' ' ' MET . 6.5 tpt -68.91 -38.12 79.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.239 0.542 . . . . 0.0 111.266 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.621 ' O ' ' N ' ' A' ' 147' ' ' THR . 94.2 mmm -88.1 -27.11 22.14 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.096 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 142' ' ' VAL . 0.7 OUTLIER -31.13 83.54 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 O-C-N 124.171 0.919 . . . . 0.0 111.259 -179.463 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.621 ' N ' ' O ' ' A' ' 145' ' ' MET . 10.8 m 40.09 71.78 0.17 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.584 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 148' ' ' VAL . 19.2 t -36.11 89.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 O-C-N 123.45 0.469 . . . . 0.0 110.793 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 147' ' ' THR . 7.3 ptm180 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.21 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -63.7 -40.6 97.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -68.59 -38.63 80.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.474 -179.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.52 ' N ' ' OE1' ' B' ' 21' ' ' GLN . 15.7 tpp180 -61.06 -44.24 97.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.383 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.561 ' CH2' HD22 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -62.62 -49.02 76.85 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.139 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -65.94 -38.25 88.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.778 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 68.6 m -59.46 -43.05 93.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.822 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.57 ' O ' HG23 ' B' ' 30' ' ' VAL . 7.1 p -61.19 -48.16 82.82 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.465 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.8 -37.28 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.042 0.449 . . . . 0.0 110.244 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.443 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 39.5 t -63.56 -42.78 98.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.153 0.501 . . . . 0.0 110.345 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.69 -27.39 35.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.487 -0.485 . . . . 0.0 109.868 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 26' ' ' SER . 43.7 t -69.26 -44.3 80.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.513 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' B' ' 28' ' ' SER . 27.0 pttt -63.22 -36.93 85.28 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.1 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.403 ' N ' ' HG2' ' B' ' 31' ' ' LYS . 86.5 m-20 -77.67 -33.68 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.846 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' B' ' 34' ' ' ALA . 72.7 ttt-85 -72.19 -46.66 55.38 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.846 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 23.81 79.81 0.02 OUTLIER 'General case' 0 C--N 1.347 0.476 0 O-C-N 123.996 0.81 . . . . 0.0 111.291 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.435 HH11 HH22 ' B' ' 33' ' ' ARG . 49.1 ttp180 -77.45 -10.94 59.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.052 -178.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.487 ' O ' ' OG ' ' B' ' 41' ' ' SER . 22.5 mtp180 -107.53 -1.36 21.4 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.454 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.2 OUTLIER 59.96 67.35 0.87 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.226 0.536 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -55.93 -36.14 67.41 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.434 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 63.1 mmm -66.45 -62.28 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.406 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 81.3 mt -62.82 -43.63 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.785 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' B' ' 36' ' ' ARG . 69.9 m -55.18 -43.76 74.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.24 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -64.15 -40.31 95.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.351 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.406 ' OXT' ' O ' ' B' ' 40' ' ' ILE . 44.3 mt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.248 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' A' ' 3' ' ' ILE . 29.2 p-10 -79.38 -110.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.47 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.698 ' O ' HG22 ' A' ' 3' ' ' ILE . 65.7 mt -126.88 35.24 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 110.655 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' C ' HD12 ' A' ' 4' ' ' LEU . 1.6 pp -168.28 43.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.435 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 p -70.79 165.74 22.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.46 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 10' ' ' VAL . 97.2 mt-10 -58.31 -37.08 74.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.445 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -50.7 -60.5 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.441 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 83.2 mm-40 -46.07 -36.2 5.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.042 0.448 . . . . 0.0 110.559 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.9 mt -77.75 -33.27 18.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.537 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 6' ' ' GLU . 47.0 t -65.08 -50.63 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.369 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -66.58 -42.0 87.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 110.05 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -63.03 -42.27 99.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.574 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -64.65 -33.8 76.78 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.259 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.24 -47.21 85.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.8 -36.79 84.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.142 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.51 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 35.9 t80 -59.87 -49.53 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.88 -33.12 82.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt -65.62 -49.19 69.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.941 0.4 . . . . 0.0 110.879 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CE1' HG11 ' A' ' 35' ' ' VAL . 4.0 m-85 -65.07 -32.82 74.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.42 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.51 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 58.6 m-20 -94.09 86.43 4.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.58 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -67.12 -37.16 83.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.785 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.2 OUTLIER -103.01 28.31 6.35 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.118 -178.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 25.95 51.88 0.06 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.625 ' C ' ' H ' ' A' ' 26' ' ' CYS . 0.4 OUTLIER -78.68 36.49 0.26 Allowed 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.401 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 23' ' ' GLY . . . 57.98 -6.28 0.04 OUTLIER Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.625 ' H ' ' C ' ' A' ' 24' ' ' ASP . 2.6 p -166.26 173.74 9.83 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.9 mt -103.86 116.2 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.896 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -89.22 154.75 19.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.674 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.8 t -45.69 -47.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.403 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.32 -53.82 53.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.757 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 95.0 mt-10 -50.6 -46.1 57.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.044 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.01 -42.47 99.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.55 -50.84 70.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.651 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -56.69 -47.37 80.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.43 HG11 ' CE1' ' A' ' 19' ' ' PHE . 71.8 t -61.33 -43.4 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.623 ' O ' ' N ' ' A' ' 40' ' ' ASP . 74.7 mt -60.88 -42.12 91.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.106 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.574 ' O ' ' O ' ' A' ' 40' ' ' ASP . 61.4 ttp180 -59.96 -34.53 73.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.146 0.498 . . . . 0.0 109.936 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.1 p -72.93 -43.34 62.48 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.094 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 39' ' ' LEU . 5.8 tt -93.73 4.04 54.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.431 0.634 . . . . 0.0 110.686 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.623 ' N ' ' O ' ' A' ' 36' ' ' ILE . 1.9 t70 -159.17 170.31 22.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.216 0.531 . . . . 0.0 110.594 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.82 -90.23 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.101 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -174.55 100.13 0.28 Allowed Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.317 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -78.99 -155.43 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.771 2.314 . . . . 0.0 111.275 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 46' ' ' GLU . 1.8 m -108.31 149.48 28.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.64 -44.02 97.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.98 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' N ' HG22 ' A' ' 44' ' ' THR . 80.7 mm-40 -64.91 -31.83 73.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.83 0.348 . . . . 0.0 110.655 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.42 -37.16 84.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.318 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.0 mt -74.45 -57.79 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.625 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -51.87 -26.72 10.69 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.06 0.457 . . . . 0.0 110.691 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -79.18 -46.89 17.02 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.11 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.478 ' SD ' ' OXT' ' B' ' 43' ' ' LEU . 9.3 ttt -66.02 -21.91 66.42 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.313 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 54' ' ' GLU . 5.1 mm -76.77 -72.01 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.9 t -48.95 -10.05 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.83 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 52' ' ' ILE . 42.9 tt0 -69.63 -38.78 77.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.006 0.431 . . . . 0.0 110.92 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.8 p -117.12 -11.22 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.059 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 67.0 t0 -93.72 101.03 13.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.358 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -43.8 -71.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.118 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.562 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.5 p30 -69.97 12.86 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.353 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.562 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 1.91 68.79 0.0 OUTLIER Glycine 0 N--CA 1.473 1.136 0 O-C-N 124.079 0.862 . . . . 0.0 111.929 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.547 HD21 ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -98.15 22.63 9.23 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.216 -0.492 . . . . 0.0 110.149 -179.38 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.68 13.36 58.77 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.467 ' OG1' ' OD1' ' A' ' 60' ' ' ASN . 15.2 p -138.61 155.26 48.47 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.563 -0.374 . . . . 0.0 110.469 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.3 mt -126.53 132.62 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.741 0.305 . . . . 0.0 110.218 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.463 ' HG3' ' H ' ' A' ' 67' ' ' GLU . 12.3 pt-20 -108.88 169.69 8.52 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.366 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -53.57 -42.66 67.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.494 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.5 -38.23 86.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.056 0.455 . . . . 0.0 110.328 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 96.6 mt-10 -76.54 -40.21 50.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.702 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -61.57 -44.87 96.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.925 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.57 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.3 tt -62.46 -46.43 88.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.927 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.7 m -61.39 -41.64 97.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.3 -50.66 73.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 75' ' ' LYS . 38.4 mmt -71.74 -38.51 70.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.75 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.89 -33.77 51.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.433 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -73.59 -45.47 52.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.741 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 72' ' ' MET . 62.0 mttp -79.64 141.99 35.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.177 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.447 ' O ' ' HB2' ' A' ' 77' ' ' LYS . 46.9 t 68.5 118.09 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 O-C-N 124.191 0.932 . . . . 0.0 110.139 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 76' ' ' VAL . 32.2 ttpt 162.4 -75.77 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.009 0.818 . . . . 0.0 110.474 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 78' ' ' ASP . 66.7 t0 -116.0 42.19 2.41 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.108 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -62.27 -84.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.502 ' N ' ' OG1' ' A' ' 79' ' ' THR . 0.1 OUTLIER 179.8 153.09 0.47 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 121.018 0.437 . . . . 0.0 110.177 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.14 -54.64 16.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.844 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -58.23 -23.73 56.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.141 0.496 . . . . 0.0 110.894 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' OE1' ' OG1' ' A' ' 79' ' ' THR . 83.2 mt-10 -76.76 -54.63 6.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.13 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -71.86 -32.24 67.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.945 0.403 . . . . 0.0 110.59 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.7 mt -66.38 -38.07 86.69 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.11 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -85.37 -42.07 14.89 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.268 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -58.75 -39.16 80.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.819 0.342 . . . . 0.0 110.195 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -57.23 7.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 36.6 t80 -51.65 -29.25 17.13 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.408 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -71.13 -36.71 72.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.9 t -76.06 -51.85 19.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.836 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -63.88 -46.77 83.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.537 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.469 ' OD1' ' OD1' ' A' ' 97' ' ' ASN . 21.5 t0 -89.28 66.35 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -44.79 -55.58 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.305 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -75.27 0.91 15.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.942 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 42.49 27.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.469 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 27.6 p-10 -63.36 -10.35 16.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.658 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.18 -15.87 50.36 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -129.88 133.39 46.86 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.5 mt -84.37 115.62 26.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.8 p -83.07 150.59 26.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.533 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.96 -44.58 70.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.607 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.6 p -55.04 -41.02 70.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.614 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.71 -45.7 81.76 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.251 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.3 tp -68.37 -31.36 70.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.345 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -61.25 -44.75 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' C ' ' N ' ' A' ' 109' ' ' MET . 62.9 m170 -68.0 -55.2 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.268 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.5 t -49.49 -18.73 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.364 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 107' ' ' HIS . 3.2 tpt -87.5 -76.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.692 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.3 tt -48.27 -34.96 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.461 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.434 ' N ' HG23 ' A' ' 110' ' ' ILE . 95.2 m-20 -51.03 -25.33 4.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.126 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 mt -89.6 1.19 56.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.14 -9.96 69.88 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 14.0 mp0 -82.39 106.53 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.813 0.339 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -89.43 104.25 16.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.82 0.343 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.82 128.55 53.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.351 0.596 . . . . 0.0 110.621 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 p -65.03 172.38 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.02 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.54 -31.29 72.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -67.43 -46.41 73.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -64.82 -40.6 95.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.678 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.19 -44.38 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.208 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.85 -31.33 72.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.041 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -68.28 -57.56 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.822 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.485 ' HE3' ' CD1' ' B' ' 23' ' ' TRP . 24.9 ttt -51.02 -57.94 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 111.065 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 129' ' ' ASP . 9.6 tp -53.17 -36.94 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.47 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.4 ' N ' HG23 ' A' ' 125' ' ' ILE . 88.1 tttt -67.57 -38.28 83.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -79.24 -16.82 55.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.665 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -101.96 -28.28 12.48 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.358 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 66.5 t0 -82.61 105.83 13.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.111 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 130' ' ' LEU . 10.9 mp -64.98 -42.83 94.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.971 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.458 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 5.4 m-20 -83.17 0.95 42.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.395 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 48.57 32.57 10.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.544 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 20.0 p-10 -92.34 15.05 14.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.725 0.298 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 68.38 23.9 75.02 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -150.85 159.28 44.65 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.309 0.576 . . . . 0.0 110.392 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.7 t -129.27 126.93 64.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.279 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -92.32 162.0 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.439 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -52.17 -41.83 62.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.023 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.96 -49.53 77.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.35 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.458 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 94.4 mt-10 -62.05 -39.95 94.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.322 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.57 -46.68 88.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.297 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.59 -47.22 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.028 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 147' ' ' THR . 53.3 mtmt -61.36 -35.26 76.96 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.3 mmm -66.43 -23.88 66.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.609 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.3 tpt -90.54 -21.14 21.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.46 ' O ' ' OG1' ' A' ' 147' ' ' THR . 3.4 ptm -141.52 54.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 110.398 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' ' 143' ' ' LYS . 0.2 OUTLIER -172.03 -52.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.495 179.321 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 149' ' ' ARG . 21.5 t 68.0 -96.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 O-C-N 123.636 0.585 . . . . 0.0 110.636 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 148' ' ' VAL . 16.1 ptm180 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.114 -0.946 . . . . 0.0 111.298 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.428 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -57.99 -35.7 71.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.405 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -64.22 -43.7 94.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.303 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.428 ' HE ' ' HA ' ' B' ' 19' ' ' ALA . 83.0 mtm180 -60.49 -38.89 85.78 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.397 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.665 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.4 m95 -62.32 -49.95 73.56 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.646 -0.422 . . . . 0.0 109.958 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -68.49 -37.29 79.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.843 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.493 ' OG ' HD11 ' B' ' 29' ' ' ILE . 6.7 t -63.15 -43.17 99.06 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.037 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.474 ' O ' HG23 ' B' ' 30' ' ' VAL . 37.8 t -60.1 -45.15 93.94 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.101 -0.639 . . . . 0.0 110.507 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.6 t -69.25 -44.51 80.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.782 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.0 m -68.34 -42.84 78.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.398 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' B' ' 33' ' ' ARG . 71.9 mt -62.25 -42.12 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 26' ' ' SER . 21.8 t -59.78 -44.87 94.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.379 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -82.63 -17.11 45.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.925 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -99.66 -11.4 20.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.177 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' B' ' 35' ' ' ARG . 60.4 ttt85 -104.94 -44.86 4.7 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.479 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.549 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 54.1 -75.59 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.119 0 O-C-N 123.291 0.369 . . . . 0.0 110.721 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' B' ' 33' ' ' ARG . 67.3 ttt180 68.72 -37.54 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.391 0.432 . . . . 0.0 110.392 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.549 ' H ' ' C ' ' B' ' 34' ' ' ALA . 83.9 mtp180 -92.8 -7.81 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.481 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.6 m-85 68.44 54.69 0.53 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 110.533 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -50.6 -32.5 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.905 0.383 . . . . 0.0 110.01 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.444 ' N ' ' SD ' ' B' ' 39' ' ' MET . 2.4 mpt? -66.13 -67.92 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.852 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.14 -42.67 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.369 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' B' ' 36' ' ' ARG . 49.3 m -53.61 -46.74 70.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -65.03 -40.85 95.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.575 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.478 ' OXT' ' SD ' ' A' ' 51' ' ' MET . 51.2 mt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.366 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.582 ' O ' ' N ' ' A' ' 4' ' ' LEU . 39.8 p-10 -83.26 11.3 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 88.3 mt 58.51 -70.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 O-C-N 123.548 0.53 . . . . 0.0 110.576 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 2' ' ' ASP . 63.5 mt -46.71 160.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.479 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 p -156.28 153.11 28.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 10' ' ' VAL . 46.4 mt-10 -51.38 -41.5 60.72 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.952 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.7 mp0 -62.59 -52.25 64.14 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -49.63 -48.1 49.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mm -62.58 -43.31 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 6' ' ' GLU . 30.8 t -61.16 -51.29 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.349 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -57.07 -51.98 67.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -60.69 -42.77 97.8 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.045 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -61.15 -36.28 79.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.257 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.531 ' OE2' ' NH2' ' B' ' 35' ' ' ARG . 72.6 tt0 -63.28 -50.63 69.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.016 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.19 -38.15 68.0 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.999 0.428 . . . . 0.0 109.998 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 38.1 t80 -61.29 -46.58 89.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.034 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.62 -37.86 78.49 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.12 -51.99 65.68 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.776 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CD1' HD12 ' A' ' 32' ' ' LEU . 25.1 m-85 -53.15 -33.1 51.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.577 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 81.7 m-20 -99.59 76.51 2.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.595 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HG3' ' H ' ' A' ' 21' ' ' LYS . 29.4 mtmt -51.69 -26.19 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.131 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 23' ' ' GLY . 45.3 p30 -107.99 36.74 2.67 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.679 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.87 63.5 0.01 OUTLIER Glycine 0 N--CA 1.471 0.97 0 O-C-N 123.832 0.708 . . . . 0.0 112.166 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 47.3 p-10 -86.44 -26.73 24.55 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 111.79 9.7 20.33 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.466 ' SG ' ' OD2' ' A' ' 24' ' ' ASP . 30.1 p -160.57 163.93 32.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.824 0.345 . . . . 0.0 110.361 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.1 mt -117.06 123.15 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.014 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 m -106.25 152.47 23.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.826 0.346 . . . . 0.0 110.802 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.1 t -48.91 -40.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.373 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.77 -54.59 40.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.336 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -60.54 -45.11 95.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.055 0.455 . . . . 0.0 110.25 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD12 ' CD1' ' A' ' 19' ' ' PHE . 6.6 tp -65.07 -38.53 91.06 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.407 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.39 92.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.928 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -58.01 -43.52 86.74 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.01 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -64.74 -45.44 95.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.333 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.73 -44.56 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.642 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -62.86 -36.48 83.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.472 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.3 m -84.77 18.65 2.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.179 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -114.62 17.65 17.12 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.333 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 12.0 t0 87.8 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.215 0.947 . . . . 0.0 110.496 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -86.9 146.14 26.29 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.953 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.544 ' H ' HD22 ' A' ' 42' ' ' ASN . 0.1 OUTLIER -141.22 67.63 26.33 Favored Pre-proline 0 N--CA 1.466 0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.188 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.03 154.16 42.15 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.679 2.252 . . . . 0.0 112.166 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.5 t -58.79 149.35 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.682 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -67.03 -30.21 70.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.545 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -55.62 -46.0 77.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.356 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' H ' HG23 ' A' ' 44' ' ' THR . 1.3 tm-20 -58.96 -59.16 5.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.312 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' H ' ' HG ' ' A' ' 48' ' ' LEU . 64.9 mt -48.81 -43.47 38.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.04 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -60.41 -46.61 89.4 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.768 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.65 -48.69 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 29.7 ttp -63.21 -45.32 92.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.527 HD13 HD11 ' A' ' 63' ' ' ILE . 8.1 mm -65.95 -41.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.273 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.7 p -71.64 -35.57 70.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -55.48 -38.16 68.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.74 HG21 HD13 ' A' ' 71' ' ' LEU . 61.4 t -87.35 -51.13 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -57.29 94.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.733 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.624 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.99 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.528 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 59' ' ' GLY . 33.6 p-10 -62.35 11.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.667 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.624 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 32.0 64.16 0.24 Allowed Glycine 0 C--N 1.338 0.657 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 62' ' ' THR . 33.6 p30 -101.39 29.19 4.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.762 0.315 . . . . 0.0 110.158 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 44.09 17.07 0.06 OUTLIER Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.716 -0.953 . . . . 0.0 110.716 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 60' ' ' ASN . 17.7 p -139.5 140.98 37.36 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.1 0.476 . . . . 0.0 110.573 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.527 HD11 HD13 ' A' ' 52' ' ' ILE . 72.1 mt -107.56 128.26 62.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -90.32 161.65 15.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.314 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -48.47 -48.3 37.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.342 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.54 -39.13 79.32 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -74.06 -39.96 63.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -62.1 -46.77 87.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.556 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.603 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.7 tt -61.78 -48.69 79.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.217 -178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.0 p -64.1 -43.02 96.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.577 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.74 HD13 HG21 ' A' ' 55' ' ' VAL . 40.4 tp -58.2 -48.33 80.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.8 tpt -71.8 -37.63 70.36 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.49 69.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.867 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -60.55 -64.67 0.87 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.477 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.583 ' O ' ' C ' ' A' ' 76' ' ' VAL . 28.3 tptp -44.87 -84.54 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.583 ' C ' ' O ' ' A' ' 75' ' ' LYS . 61.1 t -11.21 117.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 123.917 0.761 . . . . 0.0 110.903 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -173.98 -106.7 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.211 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 78' ' ' ASP . 65.9 t0 -175.37 35.79 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.853 0.359 . . . . 0.0 110.199 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.0 p -63.43 -65.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.18 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.87 116.14 28.58 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.119 0.485 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.99 -52.99 9.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.428 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -55.1 -14.67 1.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -84.71 -58.61 2.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -66.03 -34.27 77.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.324 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 142' ' ' VAL . 3.2 tp -71.88 -35.95 69.92 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.05 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -83.71 -46.11 12.64 Favored 'General case' 0 C--N 1.338 0.068 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.532 ' O ' HG23 ' A' ' 91' ' ' VAL . 92.2 mt-10 -58.67 -41.68 86.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.898 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.42 -57.77 9.21 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.875 0.369 . . . . 0.0 110.169 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.02 -38.49 73.21 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.243 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.94 -37.78 80.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.28 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 87' ' ' GLU . 94.7 t -76.58 -48.82 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 110.693 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -58.88 -47.63 84.27 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.098 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 96' ' ' GLN . 38.9 t0 -88.74 61.37 5.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.274 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -38.52 -59.56 0.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.784 0.326 . . . . 0.0 111.407 -178.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 56.1 p30 -62.72 -10.72 13.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.571 ' N ' ' O ' ' A' ' 93' ' ' ASP . 52.1 mt-30 43.77 67.03 0.71 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.424 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -108.23 0.67 21.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.465 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.83 -1.2 63.27 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -140.05 145.19 37.4 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.516 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.7 mt -96.43 116.09 37.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 120.883 0.373 . . . . 0.0 110.209 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 m -85.75 147.13 26.47 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.187 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -43.83 68.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.783 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -60.26 -43.85 95.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.717 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 92.6 mt-10 -65.24 -51.05 63.33 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.16 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.431 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 48.2 tp -66.82 -22.91 65.99 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.79 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.558 ' O ' HG22 ' A' ' 110' ' ' ILE . 61.3 ttp180 -82.53 -41.39 19.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -56.85 -50.72 71.57 Favored 'General case' 0 CA--C 1.52 -0.178 0 O-C-N 123.765 0.666 . . . . 0.0 109.559 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.507 ' O ' ' C ' ' A' ' 109' ' ' MET . 46.0 t -62.53 -64.24 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.828 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.507 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.1 tpt -30.41 -74.34 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.977 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.639 HG23 ' N ' ' A' ' 111' ' ' ASN . 7.1 tp -47.18 -50.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.657 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.639 ' N ' HG23 ' A' ' 110' ' ' ILE . 21.4 t-20 -51.25 -9.3 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.392 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.617 ' CD2' ' HE ' ' B' ' 33' ' ' ARG . 85.3 mt -110.27 81.98 1.52 Allowed 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.712 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 12.72 61.69 0.01 OUTLIER Glycine 0 N--CA 1.471 1.025 0 O-C-N 123.689 0.618 . . . . 0.0 112.084 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.598 ' O ' HD12 ' A' ' 110' ' ' ILE . 60.0 mt-10 -144.78 120.81 10.72 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.044 0.45 . . . . 0.0 110.22 -178.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -100.63 88.46 3.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.291 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 65.8 mt -118.61 128.41 54.51 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.058 0.456 . . . . 0.0 110.908 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.7 p -68.18 167.78 13.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.414 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 122' ' ' GLU . 42.1 t0 -62.42 -27.41 69.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.303 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -65.24 -51.59 59.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.653 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -59.27 -42.62 91.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.978 0.418 . . . . 0.0 110.539 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.01 -46.48 88.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.147 0.499 . . . . 0.0 110.771 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.419 ' OE2' ' OD2' ' A' ' 118' ' ' ASP . 90.7 mt-10 -60.76 -23.71 65.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.758 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -75.51 -59.23 2.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.615 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.412 ' SD ' ' CG ' ' B' ' 22' ' ' ARG . 12.4 ttp -46.7 -51.78 15.32 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.274 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.581 HG23 ' N ' ' A' ' 126' ' ' LYS . 19.8 tt -61.05 -45.35 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.581 ' N ' HG23 ' A' ' 125' ' ' ILE . 38.2 ttpt -61.84 -38.39 88.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.392 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -68.02 -47.12 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.474 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.31 -35.49 79.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.132 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 41.8 t0 -69.22 99.82 1.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.938 0.399 . . . . 0.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.0 mt -72.95 -42.32 63.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.271 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.517 ' O ' ' O ' ' A' ' 132' ' ' GLY . 19.5 p-10 -85.42 1.37 48.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.766 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 50.72 112.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 3.6 p30 -160.95 -20.9 0.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.526 -0.397 . . . . 0.0 110.465 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.8 6.42 49.51 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.52 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 8.3 mt-30 -147.24 156.27 42.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.922 0.391 . . . . 0.0 110.481 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.2 t -115.71 124.19 71.88 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.202 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.72 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -84.73 151.3 24.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.614 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.455 ' O ' HG23 ' A' ' 142' ' ' VAL . 72.6 t80 -51.57 -42.3 61.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.303 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -62.45 -49.19 76.42 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.944 0.402 . . . . 0.0 110.002 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.28 -37.97 85.08 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 55.1 t80 -64.28 -47.53 79.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.04 0.448 . . . . 0.0 110.418 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.839 HG22 HD21 ' A' ' 85' ' ' LEU . 79.6 t -59.8 -45.55 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -61.0 -36.0 78.32 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.335 0.397 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.6 ttt -72.52 -33.08 66.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.663 ' O ' ' N ' ' A' ' 147' ' ' THR . 6.2 mtp -75.48 -26.06 57.87 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.193 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.482 ' O ' ' HB ' ' A' ' 147' ' ' THR . 44.9 mmm -58.31 57.32 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.481 0 O-C-N 124.289 0.993 . . . . 0.0 111.202 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.663 ' N ' ' O ' ' A' ' 145' ' ' MET . 18.5 m 77.5 -96.28 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 123.621 0.575 . . . . 0.0 111.336 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.536 ' O ' HG12 ' A' ' 148' ' ' VAL . 16.2 t 53.24 36.02 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.295 0.569 . . . . 0.0 110.67 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.446 ' H ' HG22 ' A' ' 147' ' ' THR . 13.1 ptm180 . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 117.856 -1.069 . . . . 0.0 110.364 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -63.99 -37.95 89.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.656 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.15 -43.57 91.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.454 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.412 ' CG ' ' SD ' ' A' ' 124' ' ' MET . 18.6 tpp85 -62.56 -43.18 99.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.079 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.431 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 2.7 m95 -58.34 -44.85 88.92 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.54 ' NH2' ' O ' ' A' ' 147' ' ' THR . 96.0 mtt180 -65.39 -37.23 86.35 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.903 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 40.6 m -58.9 -45.81 89.39 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.185 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.56 ' O ' HG23 ' B' ' 30' ' ' VAL . 14.8 m -61.74 -43.83 98.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.273 0.558 . . . . 0.0 110.354 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.64 -40.36 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.476 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 70.3 m -61.32 -42.63 98.99 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.72 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.401 ' CD1' ' OE2' ' A' ' 114' ' ' GLU . 96.4 mt -68.29 -28.74 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.437 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 26' ' ' SER . 43.0 t -67.92 -44.51 85.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.619 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' B' ' 32' ' ' ASN . 28.9 pttt -64.97 -36.54 84.73 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.831 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' B' ' 31' ' ' LYS . 92.7 m-20 -71.5 -39.5 70.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.357 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.617 ' HE ' ' CD2' ' A' ' 112' ' ' LEU . 60.7 ttm-85 -64.16 -46.32 84.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.059 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 37.75 64.64 0.64 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.713 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.531 ' NH2' ' OE2' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -70.57 7.76 1.01 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.637 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.427 ' H ' ' C ' ' B' ' 34' ' ' ALA . 35.0 mmt180 -126.69 -1.06 6.74 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.489 0.493 . . . . 0.0 110.463 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.438 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 5.3 m-85 62.66 47.29 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.45 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -41.16 -33.77 0.39 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.894 0.378 . . . . 0.0 110.701 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.511 ' SD ' ' N ' ' B' ' 40' ' ' ILE . 1.8 tmt? -66.99 -70.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.681 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.511 ' N ' ' SD ' ' B' ' 39' ' ' MET . 85.3 mt -62.06 -43.25 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.307 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.6 p -54.06 -45.41 71.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.168 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.19 -41.18 97.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.368 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.31 -179.483 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 54.75 171.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.49 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.833 HG22 ' H ' ' A' ' 4' ' ' LEU . 23.2 mm 62.27 178.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.706 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.833 ' H ' HG22 ' A' ' 3' ' ' ILE . 79.8 mt -97.47 -104.74 0.18 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.853 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -148.99 145.01 27.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.689 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.594 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 43.5 mp0 -53.83 -24.72 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -61.23 -54.62 41.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 2.4 mp0 -49.81 -43.04 48.4 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.06 -43.27 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.518 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 6' ' ' GLU . 25.5 t -59.36 -48.75 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.133 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.85 -47.44 86.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.039 0.447 . . . . 0.0 109.879 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -61.64 -44.99 95.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.281 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -64.79 -37.74 88.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.951 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -58.42 -51.38 70.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.87 89.56 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.471 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -61.84 -50.08 73.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.682 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.28 -32.51 81.0 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.532 ' C ' HD23 ' A' ' 18' ' ' LEU . 4.9 tt -62.92 -53.57 51.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.57 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.512 ' CE1' HG11 ' A' ' 35' ' ' VAL . 1.7 m-85 -57.25 -27.63 62.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.217 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 37.6 t0 -101.12 88.33 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -66.3 -35.91 81.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.092 0.473 . . . . 0.0 110.392 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.58 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.1 p30 -95.73 31.41 2.07 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.797 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.26 65.42 0.01 OUTLIER Glycine 0 N--CA 1.468 0.773 0 O-C-N 123.442 0.464 . . . . 0.0 112.077 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 58.1 m-20 -91.53 -26.31 18.83 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 111.05 3.39 28.01 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 5.6 m -163.18 127.54 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 110.648 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.5 mt -76.82 123.56 33.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.893 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.0 m -98.26 152.81 19.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.61 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 t -47.64 -43.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.154 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -58.59 -60.93 3.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 69.4 mt-10 -53.66 -44.1 69.35 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.237 0.541 . . . . 0.0 109.737 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD12 ' CE1' ' A' ' 19' ' ' PHE . 6.9 tp -61.38 -38.8 88.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.22 -48.18 81.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.178 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.2 m -56.82 -51.01 70.67 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.301 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.512 HG11 ' CE1' ' A' ' 19' ' ' PHE . 86.8 t -59.33 -43.91 91.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.436 ' CD1' HD21 ' A' ' 48' ' ' LEU . 72.5 mt -62.9 -43.15 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.691 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -54.11 -46.65 72.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.316 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.7 p -70.05 -39.72 75.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.175 0.512 . . . . 0.0 109.796 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 36.9 tp -72.57 -3.83 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.868 0.842 . . . . 0.0 110.191 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -159.37 -134.49 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.48 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -151.96 66.35 0.85 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 48.94 82.94 0.23 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.562 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.34 -94.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.714 2.276 . . . . 0.0 112.081 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.682 ' O ' HD13 ' A' ' 48' ' ' LEU . 8.6 t -156.13 137.03 13.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.145 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -68.72 -19.62 64.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -67.16 -63.2 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.62 -21.93 20.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.682 HD13 ' O ' ' A' ' 44' ' ' THR . 6.1 mp -73.68 -62.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.795 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 53' ' ' SER . 87.7 mt-30 -66.44 -23.61 66.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.147 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -68.67 -53.03 24.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.162 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.7 mtm -62.63 -42.72 99.76 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.937 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.464 HG12 HD11 ' A' ' 63' ' ' ILE . 68.6 mt -73.2 -25.67 21.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.777 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 5.4 t -69.76 -47.76 61.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.034 0.445 . . . . 0.0 111.042 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -53.37 -32.77 50.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.459 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 57' ' ' ALA . 65.0 t -96.64 -55.5 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.985 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.47 ' OD2' ' OD1' ' A' ' 60' ' ' ASN . 60.0 t0 -42.73 92.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.991 0.424 . . . . 0.0 110.48 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.619 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -47.48 -72.52 0.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.89 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.54 ' O ' ' C ' ' A' ' 59' ' ' GLY . 45.9 p-10 -65.51 19.56 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.047 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.619 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 20.48 58.62 0.01 OUTLIER Glycine 0 C--N 1.341 0.832 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.472 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 51.1 p-10 -90.45 -25.35 20.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.88 0.371 . . . . 0.0 110.173 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 102.81 14.26 27.52 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.472 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 7.6 p -140.14 150.07 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.473 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.464 HD11 HG12 ' A' ' 52' ' ' ILE . 84.5 mt -102.76 125.2 57.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.939 0.4 . . . . 0.0 110.682 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' GLU . 83.6 tt0 -101.59 158.13 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.191 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' GLU . 80.7 t80 -37.83 -57.64 0.99 Allowed 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.698 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 66.0 t0 -54.38 -35.86 63.27 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 120.956 0.407 . . . . 0.0 110.667 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' GLU . 71.6 mt-10 -75.87 -32.12 59.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.829 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.04 -44.12 81.03 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.24 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' ALA . 9.9 mp -62.35 -42.87 99.74 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.157 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.3 m -58.98 -43.33 91.38 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 121.499 0.666 . . . . 0.0 110.76 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.57 -47.04 85.59 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.248 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 8.8 mmt -77.74 -32.25 52.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.403 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -50.09 -33.96 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.968 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -81.36 -18.14 46.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 76' ' ' VAL . 64.8 tttm -71.02 129.19 38.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.235 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 75' ' ' LYS . 39.4 t 55.65 121.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -129.71 -146.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -89.59 28.24 1.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.766 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 80' ' ' ASP . 0.6 OUTLIER -147.72 -144.16 0.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.702 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.494 ' H ' HG22 ' A' ' 79' ' ' THR . 93.9 m-20 54.51 54.57 9.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.61 -57.28 4.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.75 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.51 -19.36 64.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.97 0.414 . . . . 0.0 110.71 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.454 ' OE1' ' OE2' ' A' ' 87' ' ' GLU . 1.9 tm-20 -76.31 -48.36 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.47 ' OE2' HG13 ' A' ' 76' ' ' VAL . 94.9 mt-10 -80.42 -37.05 32.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.105 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.53 -33.9 76.98 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.235 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -83.28 -40.9 18.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.342 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.547 ' OE1' ' NH2' ' B' ' 38' ' ' ARG . 95.2 mt-10 -66.41 -39.11 88.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.3 -56.07 17.02 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.187 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 62.6 t80 -55.19 -41.77 72.37 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.983 0.42 . . . . 0.0 109.982 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.556 ' HZ1' HE22 ' A' ' 96' ' ' GLN . 63.6 tttp -59.15 -33.79 71.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.157 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.5 t -74.72 -60.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.944 0.402 . . . . 0.0 110.687 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 8.4 m-85 -51.48 -44.42 62.47 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.252 -179.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' CZ ' ' A' ' 89' ' ' PHE . 21.3 m-20 -84.45 64.12 8.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.907 0.384 . . . . 0.0 110.87 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -41.93 -55.81 2.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.131 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 10.6 p30 -70.84 -3.69 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.188 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.556 HE22 ' HZ1' ' A' ' 90' ' ' LYS . 86.3 mt-30 44.12 44.25 6.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.639 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 50.4 p30 -82.44 -2.3 52.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.402 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.76 -3.42 74.31 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -137.57 143.86 41.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 0.0 110.542 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.5 mt -92.14 112.46 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.453 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 61.4 m -88.21 148.12 24.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.432 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.19 -45.15 53.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.7 t -60.16 -44.45 94.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.9 0.381 . . . . 0.0 110.704 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 60.9 mt-10 -61.74 -54.5 41.66 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.176 0.513 . . . . 0.0 110.682 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.442 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 55.1 tp -65.86 -22.25 66.52 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.861 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.455 ' O ' HG22 ' A' ' 110' ' ' ILE . 43.8 ttm180 -77.97 -49.19 14.57 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.109 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -53.78 -49.71 67.66 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.708 ' CG1' HD23 ' A' ' 112' ' ' LEU . 46.1 t -60.71 -66.57 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.041 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.473 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -32.2 -73.86 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.255 0.347 . . . . 0.0 111.18 -178.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.594 HG23 ' N ' ' A' ' 111' ' ' ASN . 21.1 tt -51.22 -45.31 31.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.488 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.594 ' N ' HG23 ' A' ' 110' ' ' ILE . 57.6 t30 -70.58 -8.46 51.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.236 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.708 HD23 ' CG1' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -86.12 18.3 3.16 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.973 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.04 -73.03 0.53 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -53.83 134.87 42.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.348 . . . . 0.0 110.188 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.497 ' C ' HD12 ' A' ' 116' ' ' LEU . 61.0 mttp -93.76 108.24 20.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.798 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 115' ' ' LYS . 9.6 mp -116.51 133.59 55.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.611 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.8 p -72.83 174.43 7.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.563 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 -69.37 -26.01 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.607 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -67.87 -50.44 56.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.46 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.547 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 23.6 tp10 -60.49 -44.76 95.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.25 0.548 . . . . 0.0 110.409 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.405 ' O ' ' HG2' ' A' ' 124' ' ' MET . 93.4 t -64.74 -41.14 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.08 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.1 -28.92 70.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.88 0.372 . . . . 0.0 110.508 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -69.13 -53.24 21.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.412 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 11.9 ptm -57.86 -38.56 75.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.303 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 124' ' ' MET . 4.3 mm -64.04 -43.2 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.272 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -69.44 -36.62 76.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.842 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -78.66 -57.06 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.285 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.455 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -49.69 -37.0 27.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.208 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 25.1 t0 -91.5 109.24 20.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.842 0.353 . . . . 0.0 110.114 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 130' ' ' LEU . 11.2 mp -61.3 -46.05 91.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.928 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 4.2 p30 -75.46 -4.93 42.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.706 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 46.51 42.07 13.31 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 57.4 m-20 -79.94 20.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 64.7 5.03 16.04 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -148.38 156.94 43.13 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.028 0.442 . . . . 0.0 110.489 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.4 t -122.25 125.69 73.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.773 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.605 HD22 ' N ' ' A' ' 137' ' ' ASN . 0.9 OUTLIER -90.46 155.12 19.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.724 179.445 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -46.93 -42.92 18.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.387 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -61.77 -51.92 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.359 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 98.9 mt-10 -58.11 -40.67 81.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.253 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -61.66 -46.52 89.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.5 -45.88 93.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.467 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -64.36 -32.95 74.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.87 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 144' ' ' MET . 2.2 tmm? -76.52 -30.43 57.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.221 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.532 ' O ' HG23 ' A' ' 148' ' ' VAL . 4.4 tpp -88.86 -27.61 20.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.545 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 16.1 mmt -78.13 -41.12 36.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.649 HG22 ' O ' ' A' ' 147' ' ' THR . 51.9 m -68.95 1.17 3.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.649 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 145' ' ' MET . 46.8 t -50.04 124.92 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.923 0.392 . . . . 0.0 110.485 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.812 179.729 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -65.43 -35.46 81.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.484 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -63.69 -47.89 79.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.361 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.547 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 41.2 ttm105 -60.14 -44.66 94.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.076 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.455 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 8.6 m95 -61.09 -49.0 79.08 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.308 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -65.96 -34.22 77.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.042 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 66.7 m -59.28 -48.61 80.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.589 ' O ' HG23 ' B' ' 30' ' ' VAL . 15.8 m -61.94 -42.15 98.78 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.299 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t -68.21 -43.83 84.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 91.2 p -65.56 -44.56 86.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.073 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 33' ' ' ARG . 75.1 mt -63.17 -41.99 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.589 HG23 ' O ' ' B' ' 26' ' ' SER . 27.1 t -58.49 -45.38 90.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.209 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -64.44 -44.13 92.12 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.646 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -74.92 -27.62 60.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.25 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' B' ' 29' ' ' ILE . 66.1 ttp85 -66.75 -58.43 5.09 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.797 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 24.81 44.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.797 0.686 . . . . 0.0 111.366 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' B' ' 33' ' ' ARG . 54.8 ttp180 -59.64 -2.71 0.38 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.74 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' B' ' 34' ' ' ALA . 31.5 ptt180 -111.06 -5.2 14.83 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.692 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.417 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 2.2 m-85 65.95 47.21 2.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.604 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.547 ' NH2' ' OE1' ' A' ' 87' ' ' GLU . 13.7 ptm180 -43.86 -26.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.561 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 26.9 ttt -70.11 -64.2 0.93 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.398 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.84 -42.92 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.293 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' B' ' 42' ' ' ASN . 6.0 p -54.06 -53.05 58.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.139 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' B' ' 38' ' ' ARG . 80.0 m-20 -69.96 -39.4 76.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.965 0.412 . . . . 0.0 110.662 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.543 -179.242 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.2 p-10 -91.96 156.86 17.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.2 tt -170.48 -17.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.619 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.29 126.06 40.35 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.47 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 p -109.55 161.07 15.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.515 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 10' ' ' VAL . 95.8 mt-10 -50.26 -28.92 8.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.414 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -59.0 -28.44 66.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.013 0.435 . . . . 0.0 110.771 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.531 ' OE1' ' N ' ' A' ' 8' ' ' GLN . 9.4 mp0 -78.99 -55.32 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.987 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.2 mm -61.62 -40.49 86.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.341 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 6' ' ' GLU . 40.5 t -60.31 -50.7 79.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.227 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.479 ' O ' ' NH2' ' B' ' 33' ' ' ARG . 31.4 m-20 -54.34 -52.52 61.33 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.201 0.524 . . . . 0.0 110.523 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -63.49 -42.2 98.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.555 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -61.0 -42.48 98.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.203 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.49 ' HB2' HH22 ' B' ' 33' ' ' ARG . 85.6 mt-10 -55.23 -52.35 63.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.129 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.39 -46.01 87.23 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.217 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.467 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 34.2 t80 -58.24 -48.77 79.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.128 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.05 -34.94 62.76 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.613 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.9 tt -62.28 -52.47 63.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.009 0.433 . . . . 0.0 110.086 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.633 ' CE1' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -53.35 -32.86 51.17 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.16 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 98.4 m-20 -93.88 76.35 4.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.684 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -51.86 -32.98 34.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.365 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 23' ' ' GLY . 53.3 p30 -101.98 37.7 1.8 Allowed 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.964 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.97 66.73 0.01 OUTLIER Glycine 0 C--N 1.343 0.953 0 O-C-N 124.085 0.866 . . . . 0.0 111.581 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 42.4 p-10 -92.72 -26.12 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 -178.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 108.67 14.26 16.25 Favored Glycine 0 N--CA 1.465 0.6 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 9.4 m -162.61 166.04 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.7 mt -114.7 118.9 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 m -101.44 150.63 22.84 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.974 0.416 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.9 t -48.71 -42.4 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.04 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -61.98 -53.19 59.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.488 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 68.8 mt-10 -58.39 -44.45 88.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.939 0.4 . . . . 0.0 110.028 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.633 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.7 tp -60.9 -35.19 76.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.18 78.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 m -60.18 -48.74 80.45 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.719 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.1 t -60.48 -46.13 95.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.501 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' ASP . 76.6 mt -60.18 -43.14 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.485 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 40' ' ' ASP . 72.8 ttp85 -58.23 -33.17 69.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.068 0.461 . . . . 0.0 110.361 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -71.83 -41.25 68.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.872 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 39' ' ' LEU . 1.4 pp -97.05 4.06 51.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.312 0.577 . . . . 0.0 110.932 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 37' ' ' ARG . 32.8 t70 -170.31 176.99 4.29 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -65.62 -153.52 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.252 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -122.88 82.97 49.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.948 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -55.44 -169.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.826 2.351 . . . . 0.0 111.796 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.578 HG22 ' H ' ' A' ' 46' ' ' GLU . 54.8 m -92.37 136.52 33.13 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.069 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -53.03 -40.32 63.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.578 ' H ' HG22 ' A' ' 44' ' ' THR . 77.6 tt0 -49.14 -42.57 39.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.321 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.04 -34.0 77.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.959 0.409 . . . . 0.0 110.466 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 48' ' ' LEU . 10.9 mp -74.41 -45.47 46.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.024 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -69.48 -30.14 67.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.17 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' GLU . 28.5 t70 -70.02 -57.6 4.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.752 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -60.07 -40.86 90.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.46 . . . . 0.0 110.734 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.687 HD13 HD11 ' A' ' 63' ' ' ILE . 5.8 mm -65.43 -38.58 82.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.678 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.8 t -85.1 -19.98 31.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.724 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ASP . 42.4 tp10 -57.2 -44.9 84.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.594 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 57' ' ' ALA . 92.1 t -97.77 -52.05 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.727 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -47.84 89.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.575 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.577 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.19 -73.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.6 p30 -59.3 4.71 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.827 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 18.48 60.42 0.01 OUTLIER Glycine 0 C--N 1.346 1.136 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.3 p-10 -76.76 -13.96 59.98 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.541 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.99 -1.6 44.5 Favored Glycine 0 N--CA 1.463 0.454 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.4 p -141.5 149.2 40.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.659 0.266 . . . . 0.0 110.645 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.687 HD11 HD13 ' A' ' 52' ' ' ILE . 67.0 mt -100.24 123.68 53.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.015 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -87.45 160.48 18.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.161 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -45.27 -53.79 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -54.9 -38.97 68.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.934 0.397 . . . . 0.0 110.694 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.73 -38.32 67.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.942 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.11 -44.98 96.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.119 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 73' ' ' ALA . 3.8 mm? -62.13 -50.78 70.51 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.5 p -65.38 -43.99 88.99 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.957 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.11 -45.07 83.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.0 tpt -83.57 -51.59 7.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 69' ' ' LEU . . . -53.06 -33.89 54.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.872 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -72.18 -58.24 3.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.084 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -36.81 -68.4 0.14 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.474 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.5 t -83.83 75.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.028 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -94.24 -100.89 0.15 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.42 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 78' ' ' ASP . 59.5 t0 -111.33 21.58 16.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.891 0.377 . . . . 0.0 110.711 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.567 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 1.5 t -142.98 134.41 26.23 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-O 117.644 -1.17 . . . . 0.0 109.049 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.567 ' CG ' ' O ' ' A' ' 79' ' ' THR . 36.1 m-20 138.26 35.39 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 O-C-N 125.508 1.755 . . . . 0.0 110.665 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.61 -58.71 5.08 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.581 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.481 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 48.4 mp0 -61.23 -21.85 64.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.879 0.371 . . . . 0.0 110.461 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -80.25 -43.45 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 7.6 pt-20 -82.27 -35.56 27.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.258 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.98 -38.29 85.78 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.205 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -80.58 -43.73 20.13 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.231 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.547 ' OE1' ' NE ' ' B' ' 38' ' ' ARG . 58.8 mt-10 -66.81 -41.78 86.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.104 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -57.74 -51.76 68.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.667 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.3 -42.02 85.72 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.357 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -58.14 -37.34 74.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 87' ' ' GLU . 92.6 t -77.21 -48.79 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.429 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.09 -49.97 75.55 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.068 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.614 ' O ' ' N ' ' A' ' 96' ' ' GLN . 55.9 t0 -89.56 57.23 3.86 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.342 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' ASP . 16.4 ttmm -37.23 -50.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.745 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.453 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.3 m-20 -63.8 -24.52 67.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.752 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 93' ' ' ASP . 76.7 mt-30 61.35 19.26 10.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -65.48 -0.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.604 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 91.51 4.93 67.51 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -141.16 146.35 36.89 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.75 0.31 . . . . 0.0 110.635 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.2 mt -98.3 111.29 27.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.3 p -81.57 151.84 27.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.592 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.84 74.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.62 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.0 p -60.5 -41.91 95.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 110.663 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 29.9 mt-10 -65.01 -49.91 68.35 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.122 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.7 tp -67.09 -23.14 65.82 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.115 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.54 ' O ' HG22 ' A' ' 110' ' ' ILE . 78.6 ttt180 -83.75 -41.44 17.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.705 ' CD2' HD21 ' A' ' 111' ' ' ASN . 21.0 t-80 -57.82 -50.0 74.76 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.564 0.54 . . . . 0.0 109.711 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 109' ' ' MET . 46.0 t -61.9 -64.49 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.863 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' VAL . 5.8 tpt -32.85 -73.97 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.821 0.343 . . . . 0.0 111.262 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.623 HG23 ' N ' ' A' ' 111' ' ' ASN . 17.4 tt -49.23 -48.07 18.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.132 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.705 HD21 ' CD2' ' A' ' 107' ' ' HIS . 89.8 m-20 -57.29 -14.44 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.274 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.616 ' O ' ' N ' ' A' ' 114' ' ' GLU . 7.1 mp -107.83 82.76 1.69 Allowed 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.625 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 36.36 -83.71 0.0 OUTLIER Glycine 0 CA--C 1.521 0.456 0 O-C-N 123.747 0.654 . . . . 0.0 111.607 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 112' ' ' LEU . 52.4 tp10 -50.49 118.04 2.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.934 0.397 . . . . 0.0 110.453 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.51 ' C ' HD12 ' A' ' 116' ' ' LEU . 20.8 pttm -112.03 136.7 51.05 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.549 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 115' ' ' LYS . 10.5 mp -113.32 144.52 42.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.6 p -70.12 -178.52 1.66 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.36 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.18 -32.67 70.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -71.29 -42.33 68.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 0.0 110.732 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.88 -40.36 87.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.46 -60.35 2.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.762 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -56.09 -24.31 39.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.108 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -70.21 -65.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.932 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.624 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 6.3 ttp -47.16 -57.9 4.64 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.039 -178.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.478 HG23 ' N ' ' A' ' 126' ' ' LYS . 16.3 tt -53.02 -39.43 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.85 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.478 ' N ' HG23 ' A' ' 125' ' ' ILE . 1.5 tmmt? -65.54 -39.21 91.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.752 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -76.68 -58.4 3.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.23 -31.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.469 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 13.8 t0 -79.72 113.11 17.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.102 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.9 mt -74.45 -35.16 63.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.413 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.598 ' O ' ' O ' ' A' ' 132' ' ' GLY . 13.1 p-10 -94.97 0.57 54.78 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.785 -178.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.598 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 47.57 121.39 0.0 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.434 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 0.7 OUTLIER -168.46 -22.75 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 O-C-N 122.135 -0.626 . . . . 0.0 110.473 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.61 5.3 39.42 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.403 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 3.8 mt-30 -146.16 146.23 30.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.038 0.447 . . . . 0.0 110.221 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.3 t -112.89 128.22 69.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.927 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 49.9 t-20 -88.56 149.03 23.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.382 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 67.8 t80 -45.55 -40.89 9.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -59.57 -56.31 23.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.576 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -58.06 -40.57 81.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.041 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -58.92 -50.28 74.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.66 -46.81 90.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -58.4 -32.74 68.91 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.796 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.433 ' O ' HG21 ' A' ' 148' ' ' VAL . 27.6 ttt -70.42 -40.31 73.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.902 0.382 . . . . 0.0 110.488 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.51 ' O ' ' O ' ' A' ' 146' ' ' MET . 10.2 mmt -62.35 -22.14 65.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.4 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.51 ' O ' ' O ' ' A' ' 145' ' ' MET . 91.8 mmm -55.85 -141.07 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.241 0.543 . . . . 0.0 111.067 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.3 m -78.25 -67.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.931 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.568 HG12 HH21 ' B' ' 20' ' ' ARG . 11.0 t 64.11 104.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.537 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.552 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.568 HH21 HG12 ' A' ' 148' ' ' VAL . 32.2 ttm180 -61.42 -45.71 93.15 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.419 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -61.05 -41.43 96.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.488 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.424 ' CD ' HD21 ' A' ' 116' ' ' LEU . 14.3 tpp180 -59.06 -40.99 86.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.169 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.624 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 2.2 m95 -59.07 -48.6 81.0 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.966 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -66.36 -33.87 76.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.787 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.0 m -59.61 -46.11 89.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 92.2 p -61.37 -44.07 97.79 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.292 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 99.8 t -67.77 -40.3 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 56.3 m -61.42 -41.99 98.03 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.749 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.09 -41.93 93.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -58.56 -42.55 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -58.4 -47.48 83.75 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.014 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' B' ' 32' ' ' ASN . 54.0 t-20 -71.96 -20.83 61.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.621 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.49 HH22 ' HB2' ' A' ' 14' ' ' GLU . 3.2 tpm_? -78.88 -58.75 3.08 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.462 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 33.06 51.55 0.28 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.567 0.542 . . . . 0.0 111.0 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -55.03 -8.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.07 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' B' ' 34' ' ' ALA . 96.0 mtt180 -115.43 -6.73 12.3 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.635 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.46 ' O ' ' CB ' ' B' ' 41' ' ' SER . 1.1 m-85 63.86 73.81 0.43 Allowed 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 121.042 0.449 . . . . 0.0 110.171 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.547 ' NE ' ' OE1' ' A' ' 87' ' ' GLU . 44.1 mtp180 -54.91 -42.71 72.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.036 0.446 . . . . 0.0 110.696 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 35.0 mmt -64.36 -61.73 2.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.335 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 93.0 mt -62.57 -43.44 98.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.69 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 80.9 p -54.37 -43.58 71.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -65.62 -41.46 92.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 62.6 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.392 -179.673 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -83.77 116.32 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.504 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 4' ' ' LEU . 13.2 tt -40.08 -50.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.513 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.636 ' N ' HG23 ' A' ' 3' ' ' ILE . 15.8 mt -99.91 107.11 19.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.529 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -78.49 151.34 32.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.634 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.4 mt-10 -44.26 -29.3 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.38 -44.2 88.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.09 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -54.29 -53.43 53.85 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.51 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.5 mp -58.31 -41.93 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 6' ' ' GLU . 41.0 t -60.82 -50.4 80.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.09 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -50.62 -53.29 31.96 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.49 ' CE2' HD21 ' A' ' 69' ' ' LEU . 59.0 m-85 -63.44 -38.59 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.268 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -58.31 -46.49 86.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.077 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.45 -51.57 68.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.584 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.7 -45.73 74.03 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.933 0.397 . . . . 0.0 110.409 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 2.4 t80 -61.57 -44.61 96.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.818 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.42 -39.74 60.18 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.02 -43.4 98.83 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.735 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -64.39 -41.03 96.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 24' ' ' ASP . 36.6 t0 -94.2 75.08 4.0 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.361 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -58.45 -36.47 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.609 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.3 p30 -90.93 35.42 0.9 Allowed 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.437 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.609 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.25 66.2 0.01 OUTLIER Glycine 0 CA--C 1.523 0.554 0 C-N-CA 121.372 -0.442 . . . . 0.0 112.712 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.526 ' H ' ' CG ' ' A' ' 20' ' ' ASP . 62.6 m-20 -92.92 -26.87 17.4 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.83 -26.95 8.57 Favored Glycine 0 N--CA 1.464 0.558 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -130.2 176.61 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.984 0.421 . . . . 0.0 110.198 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.7 mt -114.79 117.58 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.99 179.63 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.577 HG21 HE22 ' A' ' 49' ' ' GLN . 45.0 t -77.15 -49.13 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.399 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.04 -46.27 90.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.171 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.33 -45.68 84.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.397 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.559 HD22 HD11 ' A' ' 52' ' ' ILE . 6.0 tp -59.86 -41.23 91.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.088 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.86 97.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.299 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -58.33 -51.44 69.77 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.308 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -59.43 -46.64 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.7 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.61 -42.86 93.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.573 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -54.43 -38.36 66.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 0.0 110.396 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 p -96.57 23.61 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -128.3 -5.56 5.42 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.992 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER 177.24 -71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.696 -179.103 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.45 ' HG2' ' H ' ' A' ' 42' ' ' ASN . 6.3 tt0 -158.7 -174.24 4.68 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.319 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.45 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 37.1 t-20 -113.61 90.06 17.09 Favored Pre-proline 0 C--O 1.231 0.113 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.78 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.15 161.06 32.74 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.999 2.466 . . . . 0.0 112.13 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 47' ' ' GLU . 10.2 t -58.28 133.95 56.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.604 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -53.37 -31.41 44.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.628 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -51.93 -44.71 64.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.498 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.526 ' H ' HG23 ' A' ' 44' ' ' THR . 81.1 tt0 -64.66 -32.86 74.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.301 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.3 mt -75.49 -43.43 49.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.47 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.577 HE22 HG21 ' A' ' 29' ' ' VAL . 45.4 mm-40 -59.13 -38.35 79.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.248 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -72.4 -49.31 34.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 80.6 mtp -60.04 -43.6 95.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.312 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 32' ' ' LEU . 24.1 mm -64.66 -46.11 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.502 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.3 t -72.75 -14.13 61.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.232 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -62.71 -46.86 86.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.119 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.623 HG21 HD13 ' A' ' 71' ' ' LEU . 42.4 t -94.2 -32.6 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.277 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.508 ' OD1' ' OD1' ' A' ' 60' ' ' ASN . 7.2 t70 -48.0 102.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.56 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.92 6.71 30.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' ' N ' ' A' ' 60' ' ' ASN . 47.0 p-10 -129.77 13.32 5.85 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.953 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.38 34.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.582 ' N ' ' O ' ' A' ' 58' ' ' ASP . 24.5 p-10 -74.92 -29.92 61.1 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.379 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.53 -3.28 36.87 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.532 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 20.8 p -139.75 155.57 47.25 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.102 0.477 . . . . 0.0 110.691 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.551 HD11 HD13 ' A' ' 52' ' ' ILE . 67.7 mt -102.11 125.84 56.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 121.077 0.465 . . . . 0.0 110.168 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.511 ' HG3' ' H ' ' A' ' 67' ' ' GLU . 16.6 pt-20 -88.75 173.21 8.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.398 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -59.7 -41.81 91.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.31 -41.5 89.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.744 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.511 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 98.5 mt-10 -72.77 -45.6 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.472 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -59.13 -44.88 92.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.911 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.3 tt -61.17 -55.9 26.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.419 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.9 t -63.43 -44.73 93.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.623 HD13 HG21 ' A' ' 55' ' ' VAL . 23.7 tp -47.04 -57.32 5.16 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.473 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.7 mmm -73.32 -54.08 9.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.224 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.38 -30.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.795 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -79.09 -55.62 4.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.068 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' O ' HG23 ' A' ' 76' ' ' VAL . 70.8 mmtt -74.9 91.96 2.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.072 0.463 . . . . 0.0 110.571 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.724 HG12 ' O ' ' A' ' 76' ' ' VAL . 55.2 t -154.29 69.14 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.468 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -109.4 -90.05 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 0.0 110.517 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 80' ' ' ASP . 51.7 t0 -147.28 -30.25 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.606 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 5.3 p 62.24 -64.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.823 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 78' ' ' ASP . 31.8 t70 -165.52 148.58 7.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.548 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.67 -55.74 9.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.242 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -55.46 -24.45 31.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -76.44 -58.13 3.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.052 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.538 ' OE2' ' NH1' ' B' ' 38' ' ' ARG . 77.0 mm-40 -69.42 -35.04 75.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.874 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 85' ' ' LEU . 88.5 mt -66.46 -37.23 84.68 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.382 0.611 . . . . 0.0 111.467 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -84.61 -46.99 10.99 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.53 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.577 ' O ' HG23 ' A' ' 91' ' ' VAL . 71.0 mm-40 -58.45 -42.74 88.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.078 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.97 -57.38 10.91 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.162 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.26 -39.08 72.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.499 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -60.55 -38.72 85.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.542 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 87' ' ' GLU . 99.0 t -75.42 -52.72 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.945 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -56.39 -47.12 79.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.173 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.549 ' O ' ' N ' ' A' ' 96' ' ' GLN . 37.6 t0 -85.89 59.52 5.68 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -38.95 -59.26 0.99 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.573 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -64.09 -8.44 11.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.456 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.549 ' N ' ' O ' ' A' ' 93' ' ' ASP . 82.6 mt-30 43.11 58.68 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.245 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -98.06 -1.06 43.36 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.786 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.502 ' O ' ' ND2' ' A' ' 137' ' ' ASN . . . 98.07 -0.42 58.9 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 34.6 m-85 -144.9 150.47 37.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.022 0.439 . . . . 0.0 110.541 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.16 115.74 37.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.218 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 p -86.99 149.32 24.85 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.166 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -44.42 68.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.973 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.4 m -60.42 -44.44 95.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -61.22 -55.0 37.1 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.658 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 41.4 tp -61.27 -21.85 64.3 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.48 ' O ' HG22 ' A' ' 110' ' ' ILE . 62.4 ttp180 -83.39 -43.04 16.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.222 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -54.34 -52.69 60.76 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.845 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 109' ' ' MET . 8.2 t -62.04 -64.95 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.406 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.7 tpt -31.18 -76.44 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.322 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 111' ' ' ASN . 21.0 tt -48.15 -48.17 12.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.636 ' N ' HG23 ' A' ' 110' ' ' ILE . 25.6 t-20 -63.12 -9.8 12.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.323 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.502 HD11 HH11 ' B' ' 33' ' ' ARG . 1.1 mp -100.1 11.74 38.62 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.602 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.82 -70.95 0.23 Allowed Glycine 0 CA--C 1.521 0.452 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -52.38 115.07 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.078 0.466 . . . . 0.0 110.223 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -100.02 115.03 28.78 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.331 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.4 mt -115.1 134.57 55.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.77 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.8 p -63.9 172.62 2.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 118' ' ' ASP . 65.9 t0 -66.59 -32.18 73.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.407 ' H ' ' HG2' ' A' ' 119' ' ' GLU . 10.1 pt-20 -69.09 -43.31 74.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.66 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.482 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 50.4 tp10 -65.08 -44.39 89.07 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.708 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.64 -44.86 98.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.15 -19.93 65.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.045 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -77.53 -63.77 1.3 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.096 0.474 . . . . 0.0 111.98 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 125' ' ' ILE . 4.9 ppp? -53.76 -42.63 68.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.593 ' N ' ' SD ' ' A' ' 124' ' ' MET . 11.0 tp -63.18 -42.2 95.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.507 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.489 ' N ' HG23 ' A' ' 125' ' ' ILE . 3.0 tppp? -64.43 -36.16 83.26 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.018 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -77.27 -53.03 8.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.576 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.574 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -48.28 -42.07 29.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.129 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 67.6 t0 -78.78 115.3 18.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 109.741 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.73 -41.26 96.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.064 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.452 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -86.15 -1.5 57.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.729 -179.081 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 48.03 39.07 18.51 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 78.8 m-20 -71.61 -15.21 62.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.984 0.421 . . . . 0.0 110.335 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.02 -1.87 56.56 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -145.13 149.95 35.92 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.904 0.383 . . . . 0.0 110.309 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.9 t -108.15 123.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.849 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 98' ' ' GLY . 18.4 t-20 -89.38 159.25 17.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.429 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -49.86 -41.58 45.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.233 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.94 -52.06 65.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.452 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 94.1 mt-10 -61.42 -37.52 83.79 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -61.44 -49.0 78.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.136 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 146' ' ' MET . 41.8 t -57.55 -46.41 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.816 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -68.0 -30.15 69.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.042 0.449 . . . . 0.0 111.189 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.521 ' SD ' ' O ' ' A' ' 144' ' ' MET . 4.3 tpt -75.6 -40.55 56.29 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.613 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.619 ' O ' ' N ' ' A' ' 147' ' ' THR . 92.4 mmm -96.03 -28.91 14.41 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.523 ' N ' ' O ' ' A' ' 142' ' ' VAL . 94.8 mtp 32.83 28.45 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.186 -178.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.619 ' N ' ' O ' ' A' ' 145' ' ' MET . 9.2 m 63.68 74.83 0.41 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -178.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.62 124.0 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-O 121.0 0.429 . . . . 0.0 110.816 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.455 ' NH1' ' OD2' ' A' ' 78' ' ' ASP . 85.1 mtm180 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.793 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -60.52 -31.29 70.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -60.94 -49.7 76.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.353 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.482 ' NH1' ' OE2' ' A' ' 120' ' ' GLU . 16.9 mmt85 -63.74 -45.04 91.69 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.207 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.574 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 1.7 m95 -63.23 -45.26 92.44 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -67.72 -40.27 84.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.849 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.5 t -58.48 -44.02 89.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.936 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.494 ' O ' HG23 ' B' ' 30' ' ' VAL . 50.3 p -61.16 -44.05 97.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.161 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 59.4 t -67.5 -42.92 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.535 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 59.8 m -59.52 -44.85 93.05 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.393 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.69 -41.7 91.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 26' ' ' SER . 55.9 t -60.35 -42.16 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.413 ' HD2' HH11 ' B' ' 38' ' ' ARG . 19.6 tptm -59.28 -47.66 84.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.042 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -67.44 -34.98 78.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.015 0.436 . . . . 0.0 110.085 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.502 HH11 HD11 ' A' ' 112' ' ' LEU . 49.3 ttp180 -65.94 -55.42 16.93 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.415 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 28.54 92.36 0.01 OUTLIER 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.42 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -90.18 -5.9 55.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.024 0.44 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.503 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 76.9 mmt-85 -108.44 1.22 21.51 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.44 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.503 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.4 OUTLIER 63.3 47.2 4.11 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.456 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.538 ' NH1' ' OE2' ' A' ' 84' ' ' GLU . 13.6 ptp180 -40.24 -30.61 0.1 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.689 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.48 ' SD ' ' C ' ' B' ' 39' ' ' MET . 1.1 tmt? -68.87 -65.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.699 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.03 -43.37 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.368 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.6 p -55.95 -42.72 76.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.227 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' B' ' 42' ' ' ASN . 48.5 t-20 -64.05 -41.7 97.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.358 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.632 179.808 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 51.25 -179.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.376 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.2 mm -137.5 133.54 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.465 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.2 mt -93.93 -88.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.35 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 7' ' ' GLU . 24.8 p -157.87 156.73 31.91 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.793 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 10' ' ' VAL . 97.4 mt-10 -48.66 -8.75 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.118 179.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 5' ' ' SER . 75.2 mt-10 -64.3 -52.79 56.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.262 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -52.88 -50.04 64.67 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.19 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.91 -43.63 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.024 0.44 . . . . 0.0 110.587 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 6' ' ' GLU . 14.0 t -59.25 -47.55 89.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.643 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -58.94 -50.15 75.15 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.292 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -61.84 -44.39 96.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.902 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -62.45 -38.74 90.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.394 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -66.12 -51.07 61.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.404 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.0 85.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.267 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 34.0 t80 -60.36 -49.63 76.83 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.191 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.78 -30.73 66.44 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.21 -50.41 68.17 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.167 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CE1' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -58.54 -30.92 67.48 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.312 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -96.42 84.87 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.929 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -62.2 -40.42 96.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.019 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' GLY . 54.3 p-10 -91.67 34.22 0.99 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.054 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.97 62.19 0.01 OUTLIER Glycine 0 N--CA 1.474 1.206 0 O-C-N 123.848 0.718 . . . . 0.0 112.421 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 10.9 p-10 -87.28 -22.49 25.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.4 . . . . 0.0 110.791 -178.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 112.24 -20.69 20.99 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.2 m -143.15 136.01 27.77 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.0 mt -76.78 124.05 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.8 -172.76 4.15 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.711 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.1 t -80.46 -49.01 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.535 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.78 -49.43 76.37 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.622 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -55.11 -45.29 75.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.093 0.473 . . . . 0.0 110.154 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.588 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.8 tp -60.31 -39.55 87.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.048 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.28 -45.85 92.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.811 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 m -58.21 -48.74 79.43 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.573 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.02 -46.58 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.933 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.494 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 80.9 mt -62.96 -47.19 93.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.614 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -43.85 -54.95 4.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.092 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.4 p -64.42 -36.88 85.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.432 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.8 OUTLIER -75.98 -2.52 30.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.349 -179.065 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.512 ' CG ' ' N ' ' A' ' 41' ' ' GLN . 45.8 p-10 -157.83 -128.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.952 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.512 ' N ' ' CG ' ' A' ' 40' ' ' ASP . 87.0 mt-30 -122.68 -77.94 0.6 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.824 0.345 . . . . 0.0 110.648 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -154.48 106.07 2.38 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.686 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -77.68 -170.1 0.88 Allowed 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.193 1.928 . . . . 0.0 111.717 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 46' ' ' GLU . 29.7 m -120.86 151.88 39.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.294 0.568 . . . . 0.0 110.367 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.34 -40.82 77.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.2 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.448 ' H ' HG22 ' A' ' 44' ' ' THR . 79.8 mm-40 -61.2 -59.75 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.303 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.61 -32.53 65.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.0 0.429 . . . . 0.0 110.475 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 48' ' ' LEU . 39.5 mt -73.55 -53.25 10.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.994 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.8 -24.7 67.63 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.123 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 97.9 m-20 -68.66 -58.52 4.13 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.753 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.7 ttp -61.91 -39.06 90.71 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.173 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.688 HD13 HD11 ' A' ' 63' ' ' ILE . 6.2 mm -67.77 -23.47 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.543 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -87.97 -27.05 22.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.968 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -77.22 -7.81 56.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.358 . . . . 0.0 110.636 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.466 HG21 HD13 ' A' ' 71' ' ' LEU . 21.7 t -118.34 -33.75 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.515 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 52' ' ' ILE . 1.3 m-20 -67.86 106.68 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.158 0.504 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.13 6.5 32.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.762 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 59' ' ' GLY . 52.0 p30 -128.65 16.0 6.45 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.715 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.39 39.82 0.03 OUTLIER Glycine 0 N--CA 1.47 0.949 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 46.7 p-10 -82.39 -30.27 30.34 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.959 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 101.73 -0.19 52.47 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 p -135.93 157.5 46.69 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 122.659 -0.318 . . . . 0.0 110.192 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.688 HD11 HD13 ' A' ' 52' ' ' ILE . 73.0 mt -103.12 130.41 53.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.272 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.537 ' OE2' ' ND2' ' A' ' 60' ' ' ASN . 30.8 mp0 -96.04 163.74 13.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.328 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -51.05 -45.06 61.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.468 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -61.1 -39.31 89.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.425 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -72.48 -44.76 61.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -61.3 -45.46 94.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.504 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.2 tt -60.99 -51.79 67.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.012 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.3 t -64.34 -41.85 96.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.636 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.466 HD13 HG21 ' A' ' 55' ' ' VAL . 32.7 tp -50.43 -46.43 56.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.648 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.5 mmt -84.43 -61.58 1.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.964 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.8 -43.35 2.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.7 -63.63 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.723 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -121.7 105.4 10.37 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 77' ' ' LYS . 57.6 t -93.88 -102.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.812 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.616 ' NZ ' ' NH2' ' B' ' 38' ' ' ARG . 26.7 ttpp -173.61 83.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.277 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -133.95 18.41 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 1.6 t -106.67 33.14 4.06 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.465 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 79' ' ' THR . 64.9 m-20 -160.12 105.1 1.52 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.991 0.424 . . . . 0.0 110.531 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.96 -54.22 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.783 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -52.7 -19.26 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.129 0.49 . . . . 0.0 110.7 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.462 ' HG3' ' HZ3' ' A' ' 77' ' ' LYS . 46.3 tp10 -83.63 -57.14 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.053 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.96 -37.38 84.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.142 0.496 . . . . 0.0 110.298 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.23 -42.79 83.45 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.157 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -82.05 -43.42 17.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.026 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.527 ' OE2' ' NE ' ' B' ' 38' ' ' ARG . 74.1 tt0 -61.95 -37.33 84.34 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.82 -56.04 18.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.813 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -51.97 -41.69 62.33 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.646 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -61.43 -35.66 78.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 87' ' ' GLU . 75.4 t -76.92 -51.12 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.461 . . . . 0.0 110.817 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -63.49 -48.33 78.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.668 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.4 t0 -92.09 72.6 5.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.397 . . . . 0.0 109.978 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -44.29 -53.61 6.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.312 -178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 20.4 p-10 -74.99 -3.05 30.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.947 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.509 ' C ' ' H ' ' A' ' 98' ' ' GLY . 78.5 mt-30 39.23 28.81 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.918 0.389 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' ASP . 38.2 p-10 -58.07 -2.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.615 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 101.82 -7.6 55.45 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 35.9 m-85 -140.06 146.86 39.49 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.9 mt -91.71 115.53 30.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -82.91 146.93 28.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.178 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.0 -45.21 75.05 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.483 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.1 m -59.64 -42.68 93.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.954 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.84 -53.9 43.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.134 0.493 . . . . 0.0 110.126 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -61.45 -25.34 67.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.02 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -78.23 -51.39 10.26 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.886 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -47.85 -52.3 19.6 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.538 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.553 ' O ' ' N ' ' A' ' 111' ' ' ASN . 43.4 t -60.16 -63.06 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.16 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.474 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -29.6 -70.91 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.396 0.435 . . . . 0.0 110.556 -178.249 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 111' ' ' ASN . 14.6 tt -54.92 -36.17 36.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.75 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 108' ' ' VAL . 5.0 t-20 -50.98 -12.76 0.12 Allowed 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.573 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.598 HD12 HG22 ' B' ' 29' ' ' ILE . 4.1 mm? -89.91 -111.42 0.08 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.22 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.37 32.75 1.84 Allowed Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.47 ' O ' HD12 ' A' ' 116' ' ' LEU . 93.5 mt-10 -139.49 114.39 9.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.623 0.249 . . . . 0.0 110.382 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -87.65 111.65 21.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.179 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 114' ' ' GLU . 2.1 mp -119.01 130.96 55.94 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.96 0.41 . . . . 0.0 110.625 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 121' ' ' VAL . 51.5 p -73.37 177.28 5.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.24 -26.7 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.436 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.03 -54.14 16.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.738 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -57.67 -39.42 77.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.208 0.528 . . . . 0.0 110.066 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 117' ' ' THR . 93.2 t -66.89 -43.9 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.149 0.499 . . . . 0.0 110.027 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.48 -22.14 66.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.294 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -75.77 -60.67 2.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.359 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.528 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 15.1 ptm -53.49 -45.93 69.83 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.844 -178.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.528 ' N ' ' CG ' ' A' ' 124' ' ' MET . 19.3 tt -62.76 -38.98 83.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.694 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -65.12 -40.15 94.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.634 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -79.5 -54.67 5.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.702 0.287 . . . . 0.0 110.779 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.77 -42.84 65.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.168 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.5 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 35.9 t0 -89.66 113.21 24.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.134 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 41.0 mt -62.65 -51.07 68.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.372 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 21.6 p-10 -82.21 -12.22 58.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.805 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.649 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 61.39 -91.08 0.06 OUTLIER Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.425 -0.893 . . . . 0.0 111.274 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 132' ' ' GLY . 0.4 OUTLIER 58.07 -11.3 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 121.289 -0.164 . . . . 0.0 111.113 -179.14 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.649 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 92.99 9.88 60.4 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.432 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -150.57 160.46 43.78 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 122.527 -0.396 . . . . 0.0 110.695 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.2 t -127.71 126.71 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 138' ' ' TYR . 4.1 t-20 -86.3 155.06 20.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.496 ' H ' ' ND2' ' A' ' 137' ' ' ASN . 61.8 t80 -52.08 -42.58 63.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.33 . . . . 0.0 110.384 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.87 -45.54 92.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.559 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.441 ' OE1' ' OD1' ' A' ' 131' ' ' ASP . 40.9 mt-10 -65.56 -39.1 91.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.114 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -60.94 -46.76 89.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.62 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.41 -46.14 95.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.356 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -60.64 -33.95 73.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.442 ' SD ' ' O ' ' A' ' 144' ' ' MET . 2.8 tmm? -79.42 -35.81 39.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.882 0.372 . . . . 0.0 110.354 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.402 ' O ' ' SD ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -61.09 -31.92 71.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.686 -179.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 58.9 mtt -45.09 166.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.862 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 23.9 m -72.99 90.03 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.257 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.7 t -75.55 130.1 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.256 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.725 -179.723 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.706 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -60.43 -38.01 82.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.316 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -67.07 -39.48 86.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -62.23 -39.8 94.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.163 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -66.8 -51.63 53.41 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.138 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -65.82 -34.7 78.75 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.011 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 64.8 m -60.69 -46.47 90.24 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.675 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.454 ' O ' HG23 ' B' ' 30' ' ' VAL . 63.6 p -62.66 -44.81 95.32 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.521 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.67 -41.46 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.498 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.9 t -63.03 -43.88 97.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.598 HG22 HD12 ' A' ' 112' ' ' LEU . 63.9 mt -62.68 -41.01 90.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 26' ' ' SER . 26.3 t -57.19 -44.16 83.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.799 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.61 -43.41 98.87 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.641 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -68.51 -40.9 80.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.648 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.496 ' NH1' ' NH2' ' B' ' 35' ' ' ARG . 56.4 ttp180 -69.97 -45.26 67.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.906 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 36.86 53.08 1.09 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.86 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.496 ' NH2' ' NH1' ' B' ' 33' ' ' ARG . 37.4 ttm180 -57.1 -8.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.0 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.475 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 55.3 ttp180 -111.33 -3.57 15.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.091 0.472 . . . . 0.0 110.182 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.475 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.1 m-85 65.46 47.99 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.359 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.616 ' NH2' ' NZ ' ' A' ' 77' ' ' LYS . 72.9 mtp180 -40.08 -30.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.393 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.442 ' SD ' ' C ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -74.3 -70.06 0.42 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.849 -179.366 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.9 -24.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.304 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.0 p -76.69 -37.4 56.22 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.543 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 77.3 m-20 -104.07 12.23 34.29 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.557 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.666 HD22 ' C ' ' B' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.605 0 CA-C-O 117.856 -1.069 . . . . 0.0 112.269 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.53 ' C ' ' H ' ' A' ' 3' ' ' ILE . . . . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 3' ' ' ILE . 2.5 m-20 69.41 -35.2 0.3 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.043 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.53 ' H ' ' C ' ' A' ' 1' ' ' ALA . 93.9 mt -30.06 138.54 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.632 0.583 . . . . 0.0 110.771 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.35 43.66 0.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.442 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -73.98 153.82 39.58 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.228 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -55.92 -20.35 15.61 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.032 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -61.14 -56.95 14.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.479 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.493 ' C ' HE21 ' A' ' 8' ' ' GLN . 0.0 OUTLIER -47.59 -39.74 17.5 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.963 -179.708 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -66.63 -43.4 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.08 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.29 -47.98 88.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.832 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -54.34 -62.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.973 0.416 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -58.26 -41.67 84.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.423 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -63.23 -32.47 73.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.635 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -65.78 -49.21 69.14 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.192 0.52 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.84 -37.03 85.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.219 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -60.42 -49.84 75.96 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.968 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.55 -30.08 61.7 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.85 -48.21 72.35 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.469 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CE1' HG11 ' A' ' 35' ' ' VAL . 31.8 m-85 -62.82 -35.19 79.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 37.0 t0 -89.64 76.65 7.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.193 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -66.07 -23.77 66.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.428 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 24' ' ' ASP . 45.5 p30 -109.97 31.46 5.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.035 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 23.39 46.13 0.01 OUTLIER Glycine 0 N--CA 1.474 1.224 0 O-C-N 123.796 0.685 . . . . 0.0 111.98 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 11.3 p-10 -74.91 -27.63 60.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.843 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.499 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 110.59 -10.76 30.41 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.523 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.471 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 16.8 m -148.72 169.61 20.04 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 122.508 -0.407 . . . . 0.0 110.315 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.1 mt -111.01 115.78 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 0.0 109.995 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 m -81.85 153.03 26.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.5 t -53.16 -47.1 56.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.668 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -63.25 -50.6 69.57 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.458 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 19' ' ' PHE . 59.2 tt0 -54.21 -42.77 70.15 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.141 0.496 . . . . 0.0 109.728 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 tp -63.01 -36.17 82.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.029 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.82 -46.13 90.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.384 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.17 -45.82 86.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.964 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.591 HG11 ' CE1' ' A' ' 19' ' ' PHE . 96.1 t -63.91 -45.81 95.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.469 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.09 -43.59 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.586 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -56.62 -44.6 81.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.416 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.595 ' C ' ' H ' ' A' ' 40' ' ' ASP . 94.3 p -55.57 -28.71 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.446 ' C ' ' H ' ' A' ' 41' ' ' GLN . 1.5 tp -65.83 16.54 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.607 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.595 ' H ' ' C ' ' A' ' 38' ' ' SER . 3.0 t70 75.3 -37.3 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.402 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.446 ' H ' ' C ' ' A' ' 39' ' ' LEU . 95.4 mm-40 -77.9 158.13 29.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.008 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -147.26 69.84 11.71 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.83 0.348 . . . . 0.0 110.298 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.49 -152.96 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.879 2.386 . . . . 0.0 111.576 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 47' ' ' GLU . 5.6 t -119.86 148.15 43.83 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.864 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -57.53 -22.65 45.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.38 -43.67 98.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.331 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' H ' HG23 ' A' ' 44' ' ' THR . 97.0 mt-10 -66.8 -29.02 68.85 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.044 0.45 . . . . 0.0 110.851 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 48' ' ' LEU . 8.3 mp -77.64 -47.38 19.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.895 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 53' ' ' SER . 40.7 mm-40 -66.79 -28.59 68.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.179 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.54 -54.16 26.81 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.076 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtm -65.62 -37.97 88.1 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.768 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.402 HG22 ' OD2' ' A' ' 56' ' ' ASP . 20.0 mt -75.45 -31.38 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.013 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 7.1 p -64.81 -49.22 71.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.155 0.502 . . . . 0.0 110.891 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -64.65 -41.69 95.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.764 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.8 t -78.34 -20.92 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.024 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' OD2' HG22 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -55.82 98.77 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.045 0.45 . . . . 0.0 110.421 -179.399 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.57 -17.7 35.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.528 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.7 p30 -128.24 22.94 6.05 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.971 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 28.45 39.3 0.01 OUTLIER Glycine 0 N--CA 1.472 1.036 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 47.2 p30 -79.6 -25.91 41.37 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.703 0.287 . . . . 0.0 110.894 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.532 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 97.35 -6.6 63.49 Favored Glycine 0 N--CA 1.463 0.463 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.0 p -126.29 167.02 16.05 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.3 mt -106.8 132.44 54.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.274 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.494 ' OE1' ' ND2' ' A' ' 60' ' ' ASN . 1.6 mp0 -101.37 155.69 17.9 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.344 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -42.76 -48.6 5.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.639 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -61.6 -34.6 75.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.184 0.516 . . . . 0.0 110.564 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 64' ' ' GLU . 96.5 mt-10 -75.04 -45.61 40.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.847 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -62.87 -35.93 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.716 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -62.79 -61.9 2.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.454 -179.446 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.3 t -62.03 -37.65 85.75 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.284 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.696 ' C ' HD23 ' A' ' 71' ' ' LEU . 6.6 tt -57.03 -45.41 83.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.634 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.7 tpt -86.52 -48.28 8.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.954 0.406 . . . . 0.0 111.037 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.02 -20.27 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.452 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 75' ' ' LYS . 13.2 tptt -59.02 -63.61 1.24 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.741 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.542 ' O ' ' C ' ' A' ' 76' ' ' VAL . 63.6 tttp -44.01 -90.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.698 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.542 ' C ' ' O ' ' A' ' 75' ' ' LYS . 4.1 t -4.99 108.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 O-C-N 124.706 1.254 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 44.3 tttp 78.53 99.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.381 0.425 . . . . 0.0 110.33 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 0.8 OUTLIER 165.99 -14.78 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 p -84.55 155.65 22.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.383 . . . . 0.0 110.836 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.55 170.22 5.28 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.4 0.619 . . . . 0.0 110.458 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.55 -52.58 24.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.351 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.4 mp0 -57.97 -19.41 30.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.637 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -78.03 -57.49 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.712 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -69.92 -35.55 74.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.102 0.477 . . . . 0.0 110.784 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.48 -38.85 85.01 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.338 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -82.13 -44.55 16.33 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.332 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 91' ' ' VAL . 64.8 mm-40 -60.89 -38.13 84.61 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.171 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.54 -57.34 8.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.903 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.41 ' CE1' ' OD2' ' A' ' 93' ' ' ASP . 57.0 t80 -53.72 -38.19 64.06 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.053 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -59.4 -35.72 74.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.034 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 87' ' ' GLU . 79.8 t -73.44 -53.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.857 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -62.3 -47.73 83.02 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.183 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.3 t0 -80.47 62.39 4.55 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.098 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' C ' ' H ' ' A' ' 96' ' ' GLN . 36.9 ttmt -43.96 -56.51 3.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.062 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.468 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -66.04 0.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.641 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' ASP . 17.2 pt20 34.42 42.75 0.07 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.515 0.509 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -89.89 1.99 55.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.752 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.91 -7.58 80.98 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -130.84 135.68 47.95 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.6 mt -94.69 116.51 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.898 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 m -87.8 152.19 22.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.563 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.99 -45.47 64.51 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.632 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.0 m -57.26 -37.9 73.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.556 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 64.3 mt-10 -66.36 -54.84 19.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.224 0.535 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.405 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 52.7 tp -63.67 -27.87 69.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.198 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.425 ' O ' HG22 ' A' ' 110' ' ' ILE . 77.8 ttt180 -74.85 -46.61 35.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.056 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -55.19 -49.49 71.78 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.501 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 109' ' ' MET . 48.8 t -61.71 -62.68 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.054 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.6 OUTLIER -32.71 -76.5 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.857 0.36 . . . . 0.0 111.199 -179.211 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.625 HG23 ' N ' ' A' ' 111' ' ' ASN . 19.7 tt -49.84 -46.7 22.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.988 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.625 ' N ' HG23 ' A' ' 110' ' ' ILE . 37.9 t30 -48.63 -10.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.532 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 110' ' ' ILE . 45.2 mt -103.42 -154.99 0.51 Allowed 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.616 ' N ' ' NH2' ' B' ' 33' ' ' ARG . . . -89.54 -16.34 57.05 Favored Glycine 0 CA--C 1.519 0.297 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -88.68 102.33 14.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.859 0.361 . . . . 0.0 110.114 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -90.69 110.25 21.42 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.5 mt -109.59 154.96 22.04 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.04 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 121' ' ' VAL . 53.1 p -91.5 176.98 6.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -65.12 -38.0 89.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.887 0.375 . . . . 0.0 110.928 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -68.01 -45.42 74.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.519 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 50.2 tp10 -64.26 -39.42 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.451 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 117' ' ' THR . 42.3 t -60.96 -46.72 96.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.221 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.91 -39.35 85.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.255 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -57.62 -62.26 1.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.405 ' CE ' ' CD1' ' B' ' 23' ' ' TRP . 26.5 ttt -48.48 -46.69 38.51 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.846 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.1 mm -56.82 -37.8 55.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.651 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -78.71 -23.84 45.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.046 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -84.01 -58.14 2.9 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.497 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.719 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -58.98 -42.56 90.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.496 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.547 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 46.8 t0 -81.44 115.72 20.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.152 0.501 . . . . 0.0 110.38 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 1.012 ' H ' HD22 ' A' ' 130' ' ' LEU . 0.5 OUTLIER -67.05 -52.65 39.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.342 -178.596 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 11.5 p-10 -86.0 -8.83 57.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.531 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.733 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 63.35 -81.83 0.04 OUTLIER Glycine 0 C--O 1.228 -0.233 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.19 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.44 ' CG ' ' C ' ' A' ' 132' ' ' GLY . 0.1 OUTLIER 52.8 -12.21 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 122.261 0.224 . . . . 0.0 110.93 -179.406 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.733 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 96.13 4.51 59.88 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.498 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 14.1 pt20 -151.32 161.16 43.21 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 122.516 -0.402 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.2 t -123.93 127.62 73.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-O 120.871 0.367 . . . . 0.0 111.374 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -88.78 163.75 15.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.352 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.53 -38.68 78.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.458 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.89 -51.14 71.3 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.131 0.491 . . . . 0.0 110.716 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.448 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 88.7 mt-10 -60.21 -37.45 80.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.142 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -61.37 -47.66 84.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.5 -58.29 5.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.835 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -60.22 -30.51 69.45 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.977 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 144' ' ' MET . 0.7 OUTLIER -72.29 -23.66 61.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.224 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.526 ' O ' ' N ' ' A' ' 147' ' ' THR . 88.7 mmm -92.19 -19.36 22.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.471 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 55.5 mmm -62.94 52.27 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.63 0.581 . . . . 0.0 110.921 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 145' ' ' MET . 40.6 m 44.17 83.29 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.829 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 144' ' ' MET . 15.3 t -83.94 60.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.062 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.905 -1.045 . . . . 0.0 110.116 -179.686 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -59.49 -33.76 71.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -68.42 -39.08 81.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.613 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.519 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 83.6 mtt85 -61.83 -42.01 98.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.467 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.719 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.8 m95 -64.51 -51.04 64.96 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.172 0.51 . . . . 0.0 110.3 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -65.37 -37.83 88.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.768 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 73.0 m -60.87 -42.21 97.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.004 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.447 ' O ' HG23 ' B' ' 30' ' ' VAL . 68.6 m -59.7 -44.41 93.69 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.27 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -68.09 -44.83 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.887 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m -68.87 -40.72 79.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.403 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' B' ' 33' ' ' ARG . 61.3 mt -62.86 -42.71 97.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 26' ' ' SER . 29.5 t -60.91 -46.73 95.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.154 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -66.95 -45.97 76.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.758 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -67.37 -38.94 85.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.671 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.616 ' NH2' ' N ' ' A' ' 113' ' ' GLY . 57.8 ttm-85 -64.55 -44.08 91.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.617 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 38.49 -86.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.45 0.468 . . . . 0.0 110.258 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.615 ' NH2' ' NH1' ' B' ' 33' ' ' ARG . 36.7 ttm180 65.53 -32.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.496 0.497 . . . . 0.0 110.364 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.617 ' H ' ' C ' ' B' ' 34' ' ' ALA . 61.3 ttt180 -86.84 -6.82 58.68 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.507 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.5 OUTLIER 64.68 43.36 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.374 179.273 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' B' ' 37' ' ' PHE . 50.4 mtm180 -35.83 -34.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.099 0.476 . . . . 0.0 110.953 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.439 ' N ' ' O ' ' B' ' 37' ' ' PHE . 9.6 tpt -69.02 -69.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.787 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.33 -43.05 98.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.653 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.7 t -54.61 -45.26 73.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.107 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -64.14 -41.59 97.14 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.398 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.534 ' N ' HD22 ' B' ' 43' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.862 -1.066 . . . . 0.0 110.421 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.4 p30 -46.56 168.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.527 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.639 HG22 ' H ' ' A' ' 4' ' ' LEU . 1.2 mt -85.74 -157.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.364 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.639 ' H ' HG22 ' A' ' 3' ' ' ILE . 4.1 mp -138.18 28.21 2.56 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.612 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 p -65.89 143.58 57.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 10' ' ' VAL . 48.5 mt-10 -52.0 -29.2 19.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.32 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -57.72 -57.19 13.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -50.46 -47.3 56.97 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.03 -43.7 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.604 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 6' ' ' GLU . 19.7 t -56.76 -47.39 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -57.33 -49.75 75.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -57.78 -42.69 84.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.062 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -60.05 -39.97 87.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.22 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -59.36 -51.85 68.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.156 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -40.48 70.05 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.245 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -61.56 -47.01 87.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.87 -38.49 64.99 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.75 -46.37 82.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.748 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.401 ' CE1' HG11 ' A' ' 35' ' ' VAL . 2.8 m-85 -67.06 -42.09 85.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.719 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.1 t0 -95.99 76.84 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.07 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.46 -30.38 64.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.129 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -102.1 32.69 3.37 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.832 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.59 64.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 O-C-N 123.486 0.491 . . . . 0.0 112.205 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . 50.1 m-20 -89.18 -25.06 22.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.16 9.43 22.15 Favored Glycine 0 N--CA 1.466 0.694 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.3 p -171.48 125.17 0.6 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.966 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mt -74.58 128.06 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 29' ' ' VAL . 32.3 m -96.54 154.5 17.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.099 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG21 ' NE2' ' A' ' 49' ' ' GLN . 43.6 t -47.33 -45.24 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.002 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.54 -54.14 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.332 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -50.84 -42.56 58.66 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -41.0 97.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.586 179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.02 -47.9 79.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.108 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.0 m -59.17 -55.0 40.59 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.61 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.401 HG11 ' CE1' ' A' ' 19' ' ' PHE . 87.5 t -60.73 -46.04 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.681 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 63.4 mt -59.75 -41.61 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.156 0.503 . . . . 0.0 109.826 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -63.79 -28.98 70.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.039 0.447 . . . . 0.0 109.903 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 t -86.47 23.83 1.53 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -112.47 8.78 19.5 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 3.1 t70 83.92 19.67 0.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.651 0.595 . . . . 0.0 110.825 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' B' ' 41' ' ' SER . 19.6 pt20 -150.71 160.49 43.81 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.343 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -143.49 75.23 16.72 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.27 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.43 165.16 31.23 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.953 2.435 . . . . 0.0 112.21 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.427 HG23 ' H ' ' A' ' 47' ' ' GLU . 8.8 t -74.61 149.29 40.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.538 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' LEU . 4.0 mt-10 -57.42 -42.06 81.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.275 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -42.17 -46.43 4.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.452 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' H ' HG23 ' A' ' 44' ' ' THR . 98.7 mt-10 -67.13 -28.79 68.43 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 45' ' ' GLU . 44.1 mt -78.24 -48.76 15.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.948 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.478 ' NE2' HG21 ' A' ' 29' ' ' VAL . 42.8 mm-40 -63.41 -29.41 70.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.274 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -70.62 -59.69 2.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.711 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -59.39 -41.32 89.1 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.773 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.6 mt -66.02 -28.33 43.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.229 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -87.64 -22.46 24.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.872 0.368 . . . . 0.0 110.388 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -70.98 -4.19 23.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.7 t -129.67 -39.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.727 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 67.4 t0 -46.74 105.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.39 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.35 5.06 32.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.573 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.561 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 1.7 p-10 -131.43 16.21 4.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.101 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.94 39.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.539 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 42.7 p-10 -82.62 -31.67 28.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.458 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 101.57 0.48 53.07 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.521 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 13.6 p -137.49 139.99 40.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.725 0.298 . . . . 0.0 110.304 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.2 mt -93.15 127.26 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.407 . . . . 0.0 110.48 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -89.43 161.06 16.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.415 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -46.59 -48.93 19.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.386 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -60.59 -38.38 84.44 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.375 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -73.69 -44.36 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.617 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -61.59 -44.18 97.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.216 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.6 tt -57.97 -59.6 5.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.325 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.1 p -60.3 -38.08 82.52 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.557 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 tt -55.27 -48.57 73.83 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.962 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -81.17 -47.1 13.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.285 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.21 -34.72 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.594 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -81.52 -58.71 2.9 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -75.87 106.37 7.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.356 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.772 HG12 ' H ' ' A' ' 77' ' ' LYS . 47.7 t -140.92 -123.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.772 ' H ' HG12 ' A' ' 76' ' ' VAL . 10.2 tttm -14.4 123.34 0.01 OUTLIER 'General case' 0 C--N 1.344 0.365 0 O-C-N 123.631 0.582 . . . . 0.0 110.951 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.476 ' C ' ' OG1' ' A' ' 79' ' ' THR . 39.0 t70 -99.08 -80.13 0.47 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.155 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.476 ' OG1' ' C ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 172.24 -166.82 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.268 -179.583 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 79' ' ' THR . 88.7 m-20 58.02 133.14 0.0 OUTLIER 'General case' 0 C--O 1.242 0.678 0 CA-C-O 121.83 0.824 . . . . 0.0 110.809 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.47 -50.94 14.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.24 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 57.6 mp0 -57.4 -15.65 7.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -84.21 -55.59 4.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -67.52 -38.81 84.8 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.156 0.503 . . . . 0.0 110.656 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.65 -30.35 68.02 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.707 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.6 -40.31 17.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.237 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.599 ' O ' HG23 ' A' ' 91' ' ' VAL . 77.7 mt-10 -57.09 -43.83 82.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.036 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.04 -58.17 6.1 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.488 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 68.1 t80 -53.69 -38.48 64.28 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.369 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -62.27 -38.3 88.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.728 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 87' ' ' GLU . 99.5 t -75.43 -52.16 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -62.13 -48.59 79.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.405 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 96' ' ' GLN . 10.0 t0 -88.28 62.37 6.66 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -39.89 -57.8 1.52 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.816 0.341 . . . . 0.0 111.516 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 38.3 p-10 -68.94 -7.99 40.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.542 ' N ' ' O ' ' A' ' 93' ' ' ASP . 77.8 mt-30 40.67 61.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.417 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -96.85 -1.21 46.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.583 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.424 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.08 -4.87 52.57 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.508 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 9.9 m-85 -142.92 148.47 36.98 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.756 0.312 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 mt -96.0 117.08 39.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -86.12 147.42 26.16 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.725 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.94 -43.89 66.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.6 p -60.29 -41.2 92.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.633 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.7 -50.54 62.52 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.179 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.5 tp -66.53 -23.32 66.21 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.345 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.466 ' O ' HG22 ' A' ' 110' ' ' ILE . 79.5 ttt-85 -83.2 -43.06 16.54 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.575 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -54.47 -51.25 65.61 Favored 'General case' 0 CA--C 1.519 -0.212 0 O-C-N 123.562 0.539 . . . . 0.0 109.776 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.5 ' O ' ' C ' ' A' ' 109' ' ' MET . 21.9 t -62.5 -63.28 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.5 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -30.07 -74.26 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.933 -178.763 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.563 HG23 ' N ' ' A' ' 111' ' ' ASN . 16.4 tt -49.19 -44.44 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.105 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.563 ' N ' HG23 ' A' ' 110' ' ' ILE . 63.8 t30 -49.7 -8.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.622 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.539 ' H ' ' C ' ' A' ' 110' ' ' ILE . 71.7 mt -97.59 10.51 39.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.506 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 77.98 45.73 10.12 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -135.38 130.2 34.55 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.205 0.526 . . . . 0.0 110.484 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -99.5 94.94 6.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.739 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.1 mt -100.2 131.86 45.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.324 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 p -70.42 160.57 32.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.243 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.62 -33.2 72.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.01 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 60.5 mp0 -68.78 -43.92 74.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.721 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -64.83 -45.19 87.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.48 -46.12 93.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.406 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.519 ' OE2' ' NZ ' ' A' ' 126' ' ' LYS . 36.9 tp10 -60.25 -27.4 67.19 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.319 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -70.94 -60.16 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.452 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.457 ' HE2' ' CE2' ' B' ' 23' ' ' TRP . 23.7 ttt -44.78 -54.43 6.34 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.765 0.317 . . . . 0.0 111.045 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 126' ' ' LYS . 4.4 tp -55.84 -43.0 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.582 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.519 ' NZ ' ' OE2' ' A' ' 122' ' ' GLU . 47.8 mttp -71.34 -28.44 64.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.427 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -79.1 -55.19 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.706 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -48.37 -41.88 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.536 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.2 t0 -79.07 107.83 12.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.24 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.635 HD23 ' H ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -79.61 -26.68 41.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 132' ' ' GLY . 5.5 p-10 -89.52 -0.6 57.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.545 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 52.51 106.91 0.01 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.451 ' OD2' ' O ' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -154.78 -22.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.614 0.245 . . . . 0.0 110.355 179.74 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.13 1.75 58.21 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.451 ' O ' ' OD2' ' A' ' 133' ' ' ASP . 7.7 mt-30 -146.95 156.3 42.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.38 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.36 122.62 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.419 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.508 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 21.3 t-20 -86.19 155.18 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.757 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -46.62 -44.33 18.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.129 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -60.3 -47.0 87.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.997 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.67 -39.68 94.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.286 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.97 -48.57 81.16 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.251 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.2 t -57.9 -47.34 86.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.268 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.27 -32.69 73.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.523 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.5 tpt -73.05 -38.7 66.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.715 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -26.31 67.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.68 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.612 ' O ' HG23 ' A' ' 148' ' ' VAL . 78.8 mtp -41.42 157.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 147' ' ' THR . 15.0 p -53.46 -24.83 13.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.45 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.792 ' O ' HG12 ' A' ' 148' ' ' VAL . 99.0 t 55.43 23.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.774 0.797 . . . . 0.0 110.425 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 . . . . . 0 C--N 1.317 -0.816 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.793 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -60.01 -44.09 94.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.242 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -63.78 -42.86 97.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.419 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.483 ' HA ' ' HE ' ' B' ' 22' ' ' ARG . 0.2 OUTLIER -61.91 -46.73 88.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.641 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.706 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 0.8 OUTLIER -62.73 -47.85 81.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.994 179.517 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.56 -39.98 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.13 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 72.3 m -60.61 -41.98 95.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.113 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.549 ' O ' HG23 ' B' ' 30' ' ' VAL . 5.8 m -60.52 -44.26 96.22 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.187 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.61 -43.33 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.616 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -65.73 -45.22 83.48 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.322 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.52 -42.93 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.234 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 26' ' ' SER . 41.9 t -60.48 -40.51 84.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.646 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.583 ' NZ ' HH22 ' B' ' 38' ' ' ARG . 28.3 tptt -62.86 -42.84 99.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.432 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -77.01 -14.81 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.965 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' B' ' 34' ' ' ALA . 52.9 ttp180 -79.02 -60.63 2.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.453 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 35.6 48.89 0.48 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.031 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -58.97 -4.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.194 0.521 . . . . 0.0 110.098 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.453 ' H ' ' C ' ' B' ' 34' ' ' ALA . 88.9 mtm180 -104.09 -0.36 28.76 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.547 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.433 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.3 OUTLIER 58.97 50.06 8.81 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.187 179.65 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.583 HH22 ' NZ ' ' B' ' 31' ' ' LYS . 24.9 mtm180 -50.1 -33.99 20.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.158 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' B' ' 39' ' ' MET . 0.6 OUTLIER -61.74 -69.63 0.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.146 0.498 . . . . 0.0 110.744 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.91 -44.41 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.472 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.55 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 56.6 m -53.1 -44.09 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.093 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -64.75 -41.03 96.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.514 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.289 -179.673 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.44 ' O ' ' OD1' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 1' ' ' ALA . 88.1 m-20 -144.13 -90.75 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.354 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.3 mt -122.56 129.4 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.188 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 mp -129.22 150.21 50.7 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.664 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -79.25 156.66 28.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.58 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 10' ' ' VAL . 98.5 mt-10 -51.71 -22.05 3.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.453 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.53 -54.63 36.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.108 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.552 HE22 ' CG ' ' B' ' 32' ' ' ASN . 17.1 mm100 -52.06 -47.4 65.14 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.45 -47.04 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.342 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 6' ' ' GLU . 22.7 t -57.75 -46.94 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -52.39 -65.56 0.54 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.148 0.499 . . . . 0.0 109.816 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -48.64 -39.4 24.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.426 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -60.88 -39.47 89.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.76 -51.13 66.27 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.65 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.73 71.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 41.9 t80 -63.12 -48.29 79.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.328 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.49 -34.13 54.71 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.78 -44.68 76.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.975 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CE2' ' CD1' ' B' ' 37' ' ' PHE . 14.9 m-85 -59.38 -37.08 77.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.471 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.528 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 95.5 m-20 -100.1 81.54 2.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.72 -19.6 64.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.361 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' GLY . 51.8 p30 -109.97 35.03 3.53 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.811 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.67 57.73 0.01 OUTLIER Glycine 0 N--CA 1.469 0.835 0 O-C-N 123.923 0.764 . . . . 0.0 111.837 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 12.3 p-10 -83.14 -27.99 29.71 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 106.66 9.1 31.42 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 10.4 m -161.27 164.88 29.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.847 0.356 . . . . 0.0 110.445 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -112.33 114.09 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.16 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.414 ' OG1' ' OE1' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -85.43 -168.03 2.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.336 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.8 t -86.57 -44.78 16.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.448 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -64.95 -40.26 94.74 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.403 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' OE1' ' OG1' ' A' ' 28' ' ' THR . 91.5 mt-10 -62.6 -49.09 76.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.856 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.575 HD22 HD11 ' A' ' 52' ' ' ILE . 6.5 tp -62.09 -37.88 86.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.892 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB1' HH12 ' A' ' 37' ' ' ARG . . . -60.75 -48.03 83.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.281 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.8 m -56.19 -46.71 79.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.202 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' A' ' 38' ' ' SER . 95.6 t -60.3 -42.51 90.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.365 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.69 -43.98 99.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.561 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.523 HH12 ' HB1' ' A' ' 33' ' ' ALA . 96.6 mtm-85 -62.6 -32.06 73.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 35' ' ' VAL . 29.9 p -56.02 -30.62 62.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.221 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.8 mp -77.06 15.58 0.68 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.742 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 38' ' ' SER . 91.3 m-20 62.77 46.6 5.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.715 0.634 . . . . 0.0 110.661 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.9 pt20 -154.01 129.44 9.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.364 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -123.09 80.89 51.39 Favored Pre-proline 0 N--CA 1.47 0.557 0 CA-C-O 121.082 0.467 . . . . 0.0 110.829 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.21 -153.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.003 2.469 . . . . 0.0 111.608 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 t -111.17 146.41 36.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.296 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -54.14 -22.62 11.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.572 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.06 -44.9 95.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.71 -29.72 70.29 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 120.973 0.416 . . . . 0.0 110.542 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 48' ' ' LEU . 9.5 mp -76.97 -55.52 5.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -59.92 -26.27 65.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.215 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 54' ' ' GLU . 45.5 t0 -68.97 -59.0 3.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.453 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.12 -41.08 99.27 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.544 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.799 HD13 HD11 ' A' ' 63' ' ' ILE . 28.1 mm -62.63 -30.1 48.48 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.0 m -96.48 -17.9 20.22 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.017 0.437 . . . . 0.0 110.928 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 50' ' ' ASP . 50.7 tp10 -61.9 -45.91 91.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.271 -178.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 56' ' ' ASP . 5.1 p -97.81 -44.91 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.892 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.523 ' N ' HG13 ' A' ' 55' ' ' VAL . 37.1 t0 -55.79 82.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.534 -178.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.58 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -45.01 -67.92 0.24 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.396 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 59' ' ' GLY . 4.2 p30 -66.01 16.18 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.58 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 13.08 60.14 0.01 OUTLIER Glycine 0 C--N 1.342 0.898 0 O-C-N 124.012 0.82 . . . . 0.0 111.219 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.55 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 8.7 p-10 -81.89 -2.67 51.98 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 120.859 0.361 . . . . 0.0 110.105 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.15 2.36 71.25 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.55 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 65.6 p -139.72 146.33 39.45 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.961 0.41 . . . . 0.0 110.489 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.799 HD11 HD13 ' A' ' 52' ' ' ILE . 84.1 mt -108.66 134.54 50.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.211 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.564 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 45.6 mp0 -92.15 161.59 14.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.603 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -53.97 -45.81 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.551 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 67' ' ' GLU . 39.3 p-10 -60.47 -33.98 73.36 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.804 0.335 . . . . 0.0 110.756 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.504 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.0 mt-10 -72.98 -50.31 24.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.806 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -61.07 -44.04 97.98 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.356 0.598 . . . . 0.0 110.364 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.497 HD23 ' C ' ' A' ' 69' ' ' LEU . 2.1 tt -55.94 -61.27 2.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.222 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 10.1 t -59.81 -38.69 82.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.051 0.453 . . . . 0.0 110.832 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 tp -47.61 -46.82 28.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.0 ttm -92.1 -50.54 5.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.29 -178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.08 -33.93 63.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.118 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 70' ' ' SER . 87.2 tttt -57.47 -66.02 0.53 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.301 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -121.68 103.16 8.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 110.939 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.4 t -92.4 -103.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.733 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.62 ' CG ' ' H ' ' A' ' 78' ' ' ASP . 0.4 OUTLIER -89.12 -107.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.62 ' H ' ' CG ' ' A' ' 77' ' ' LYS . 13.4 t0 74.85 22.68 1.86 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.577 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.1 t -146.0 140.29 26.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.468 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 82' ' ' GLU . 72.4 m-20 44.45 62.51 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 80' ' ' ASP . . . -35.59 -32.14 0.02 OUTLIER 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.386 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.619 ' O ' ' N ' ' A' ' 85' ' ' LEU . 44.0 tt0 -74.01 -72.26 0.28 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.109 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 82' ' ' GLU . 81.3 tt0 -34.04 -35.73 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.288 0.566 . . . . 0.0 110.005 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' GLU . 5.5 tm-20 -69.41 -46.23 67.32 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.513 178.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.619 ' N ' ' O ' ' A' ' 82' ' ' GLU . 74.7 mt -70.6 -9.39 56.79 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.53 178.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -83.51 -50.76 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.99 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.537 ' CD ' ' N ' ' A' ' 88' ' ' ALA . 2.6 pp20? -64.81 -35.12 80.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.537 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -62.21 -47.89 82.44 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -61.97 -37.47 84.92 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.077 0.465 . . . . 0.0 110.051 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -58.84 -32.08 69.09 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.343 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.75 -52.96 15.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -56.4 -43.59 79.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.867 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 96' ' ' GLN . 41.1 t0 -95.83 77.07 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.134 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -41.93 -61.33 1.15 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.972 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 38.7 p-10 -65.89 -1.76 3.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 93' ' ' ASP . 18.7 pt20 33.79 44.42 0.08 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.566 0.542 . . . . 0.0 111.009 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -82.25 1.03 38.58 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.127 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.89 -9.19 61.72 Favored Glycine 0 N--CA 1.461 0.348 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -130.17 135.79 48.56 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.699 0.285 . . . . 0.0 110.563 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.1 mt -89.72 112.04 23.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.0 p -83.17 157.16 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.696 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.454 ' HB2' HD13 ' A' ' 125' ' ' ILE . . . -60.67 -42.71 97.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.603 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -58.65 -43.42 89.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -69.0 -53.04 22.67 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.943 0.401 . . . . 0.0 110.352 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.0 tp -58.02 -27.46 63.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.485 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.667 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.3 ttm180 -82.06 -40.72 21.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.26 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 111' ' ' ASN . 52.7 t60 -54.37 -56.58 17.11 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.006 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' ' 109' ' ' MET . 3.5 t -61.31 -64.44 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.502 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.516 ' C ' ' O ' ' A' ' 108' ' ' VAL . 3.6 tpt -30.1 -73.44 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.394 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.554 HG23 ' N ' ' A' ' 111' ' ' ASN . 10.7 tp -52.81 -43.29 45.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.554 ' N ' HG23 ' A' ' 110' ' ' ILE . 66.4 t30 -46.9 -13.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.787 0.327 . . . . 0.0 110.585 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.497 ' N ' ' C ' ' A' ' 110' ' ' ILE . 62.4 mt -96.25 -161.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.258 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.39 0.93 83.58 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -70.45 -173.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.772 0.32 . . . . 0.0 110.426 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.615 ' C ' HD22 ' A' ' 116' ' ' LEU . 8.5 ptpt 178.72 75.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.334 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.658 HD22 ' N ' ' A' ' 116' ' ' LEU . 3.7 mm? -103.65 156.18 17.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.836 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 121' ' ' VAL . 67.7 p -78.35 -178.17 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.563 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -73.65 -30.82 63.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.018 0.437 . . . . 0.0 110.661 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 58.1 mp0 -76.14 -41.15 50.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -65.99 -42.31 89.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.667 HG11 ' HE ' ' A' ' 106' ' ' ARG . 62.6 t -63.09 -49.3 83.92 Favored 'Isoleucine or valine' 0 C--O 1.246 0.869 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.35 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.36 -28.55 68.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.171 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.438 ' O ' ' OE1' ' A' ' 123' ' ' GLN . 0.1 OUTLIER -67.41 -53.06 32.52 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.708 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.4 ' HE3' ' CD1' ' B' ' 23' ' ' TRP . 26.4 ttt -50.97 -59.07 4.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.819 0.343 . . . . 0.0 110.647 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.454 HD13 ' HB2' ' A' ' 102' ' ' ALA . 10.0 tt -54.35 -37.11 36.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.631 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.94 -44.92 87.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.762 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -69.36 -46.54 66.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.672 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -58.17 -25.77 61.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.516 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 47.9 t0 -98.04 103.11 15.02 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.933 0.397 . . . . 0.0 110.016 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 130' ' ' LEU . 10.2 mp -62.0 -49.1 77.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 2.8 p30 -77.46 -5.23 49.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.654 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 46.38 44.06 15.25 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.538 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.526 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 57.7 m-20 -69.25 -7.53 37.68 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.45 -3.28 53.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -152.99 176.27 12.05 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 120.854 0.359 . . . . 0.0 110.365 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.5 t -124.3 125.78 71.02 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.951 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -90.97 156.28 18.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.732 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -48.67 -42.76 35.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.193 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.98 -48.67 80.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.919 0.39 . . . . 0.0 110.247 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.2 -40.72 98.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -61.09 -49.7 76.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.974 0.416 . . . . 0.0 110.583 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.15 -43.97 94.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.258 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.406 ' O ' ' OG1' ' A' ' 147' ' ' THR . 32.5 ttpt -62.28 -35.89 80.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.265 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 144' ' ' MET . 0.4 OUTLIER -72.81 -30.0 63.71 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.938 0.399 . . . . 0.0 111.129 179.55 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 92.2 mmm -89.46 -29.01 19.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.54 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 87.7 mmm -108.34 48.86 0.83 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.94 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.612 ' C ' ' H ' ' A' ' 149' ' ' ARG . 10.2 m -165.42 -76.85 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.486 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.9 t 65.54 -33.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.986 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.612 ' H ' ' C ' ' A' ' 147' ' ' THR . 96.9 mtt180 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.447 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -62.02 -38.96 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.444 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.82 -39.81 87.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.364 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -62.01 -39.77 93.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.031 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.672 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 2.0 m95 -63.05 -51.93 64.76 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.288 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -65.24 -34.34 78.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.104 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.5 t -60.4 -45.79 92.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.481 ' OG ' ' SD ' ' A' ' 109' ' ' MET . 16.3 m -59.82 -46.43 89.24 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.609 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 90.1 t -68.82 -42.55 82.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.524 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 63.8 p -64.28 -40.45 95.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' B' ' 33' ' ' ARG . 51.5 mt -61.95 -42.83 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.275 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.86 -44.4 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.154 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -76.63 -25.28 53.64 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.747 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.552 ' CG ' HE22 ' A' ' 8' ' ' GLN . 99.2 m-20 -90.98 -13.69 32.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.118 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' B' ' 35' ' ' ARG . 69.3 ttt180 -109.49 -47.52 3.37 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.424 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.542 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 63.37 -66.54 0.1 Allowed 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 123.275 0.36 . . . . 0.0 110.497 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' B' ' 33' ' ' ARG . 67.9 ttp85 68.45 -37.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.425 0.453 . . . . 0.0 110.395 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.542 ' H ' ' C ' ' B' ' 34' ' ' ALA . 87.0 mtt180 -97.71 -6.36 33.16 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.692 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.522 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER 66.0 57.37 0.8 Allowed 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 121.006 0.431 . . . . 0.0 110.358 179.379 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 38' ' ' ARG . 36.8 mtp-105 -46.96 -39.47 12.45 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.911 0.386 . . . . 0.0 110.421 -178.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -66.64 -67.96 0.41 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.49 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 93.7 mt -60.79 -42.85 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.115 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' B' ' 37' ' ' PHE . 87.8 p -51.46 -45.37 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.119 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -63.01 -42.08 99.74 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.618 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.556 ' N ' HD22 ' B' ' 43' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.216 -0.671 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.721 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -140.95 147.71 39.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.478 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.2 mt -83.32 -63.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.343 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 177.46 79.14 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.327 0.584 . . . . 0.0 110.521 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -81.72 150.4 28.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.495 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 10' ' ' VAL . 97.2 mt-10 -54.88 -23.3 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.402 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -59.93 -28.06 67.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.245 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -76.32 -52.73 9.36 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.12 -39.95 84.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.056 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 6' ' ' GLU . 41.5 t -61.79 -49.48 84.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.196 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.554 ' CG ' ' HE ' ' B' ' 33' ' ' ARG . 50.7 t0 -51.98 -51.73 55.29 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.244 0.545 . . . . 0.0 110.069 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -61.83 -37.26 83.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.278 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -57.93 -41.78 83.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.186 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.07 -47.86 82.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.043 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.31 82.3 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.338 0.589 . . . . 0.0 110.278 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.44 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 18.9 t80 -59.01 -46.48 88.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.329 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.92 -38.55 65.38 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.32 -44.39 96.61 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.239 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.501 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 21.6 m-85 -70.52 -40.34 73.54 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.862 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 11.4 t0 -92.5 81.99 4.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.536 ' NZ ' ' CG2' ' A' ' 35' ' ' VAL . 3.5 mptp? -59.24 -42.18 90.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.264 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 23' ' ' GLY . 2.8 p30 -92.16 32.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.525 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.74 57.5 0.01 OUTLIER Glycine 0 N--CA 1.473 1.151 0 O-C-N 123.63 0.581 . . . . 0.0 111.761 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 22' ' ' ASP . 57.9 m-20 -78.28 -28.6 47.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.457 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.421 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 110.51 11.89 18.41 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 11.6 m -160.0 164.35 33.35 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.308 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.8 mt -116.42 126.6 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.963 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.509 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -100.82 -165.17 1.18 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 -179.778 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.509 ' H ' HG22 ' A' ' 28' ' ' THR . 80.9 t -90.0 -38.83 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.825 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -67.85 -39.0 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -69.14 -51.15 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.95 0.405 . . . . 0.0 110.061 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 19' ' ' PHE . 6.0 tp -61.63 -36.25 80.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.177 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.97 98.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.144 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.8 m -59.2 -51.4 70.13 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.972 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.536 ' CG2' ' NZ ' ' A' ' 21' ' ' LYS . 79.4 t -61.38 -43.12 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.085 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.9 mt -60.15 -44.54 95.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -65.53 -21.73 66.64 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.983 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -94.59 19.69 9.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.332 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -109.19 10.87 25.75 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.45 -179.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 3.1 t70 77.88 23.33 0.78 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.421 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -152.62 154.74 35.97 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -135.63 77.93 50.95 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -65.61 154.85 71.96 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 123.178 2.585 . . . . 0.0 111.732 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.1 t -67.62 141.76 56.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.386 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.53 -34.36 72.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.431 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -54.03 -56.78 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.473 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.492 ' H ' HG23 ' A' ' 44' ' ' THR . 82.8 tt0 -66.23 -34.62 78.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.919 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 48' ' ' LEU . 4.4 tt -61.4 -53.22 59.42 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.039 0.447 . . . . 0.0 110.443 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -67.69 -37.89 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.41 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -66.69 -41.9 87.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.688 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -61.13 -45.81 93.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.785 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.53 -41.77 91.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.53 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.1 p -65.78 -33.86 76.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.01 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -59.5 -40.65 87.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.733 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.466 HG21 HD13 ' A' ' 71' ' ' LEU . 84.7 t -87.34 -37.73 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.546 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 36.0 t0 -76.31 94.4 3.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.525 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -42.53 -63.51 0.76 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.47 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' O ' ' C ' ' A' ' 59' ' ' GLY . 4.6 p30 -69.08 12.63 0.14 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 11.59 60.29 0.01 OUTLIER Glycine 0 N--CA 1.476 1.328 0 O-C-N 124.245 0.966 . . . . 0.0 111.218 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.82 ' ND2' ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -87.12 -9.36 55.5 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.696 0.284 . . . . 0.0 110.394 -179.039 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.66 ' N ' HD22 ' A' ' 60' ' ' ASN . . . 94.3 5.38 62.08 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.82 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 20.7 p -133.89 128.03 33.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.76 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.6 mt -94.9 117.78 39.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.992 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -83.01 158.76 22.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.341 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.408 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 22.9 t80 -45.59 -55.23 6.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.022 0.439 . . . . 0.0 110.625 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -53.37 -36.2 61.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.916 0.389 . . . . 0.0 110.754 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -73.47 -43.89 59.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -59.49 -47.95 83.53 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.272 0.558 . . . . 0.0 110.493 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 73' ' ' ALA . 10.8 mp -62.63 -46.98 85.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.41 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.5 p -55.75 -44.9 78.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.765 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.466 HD13 HG21 ' A' ' 55' ' ' VAL . 28.3 tp -50.86 -58.84 4.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.919 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.6 mtt -79.17 -45.75 19.31 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.879 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 69' ' ' LEU . . . -47.43 -30.3 3.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.75 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -53.39 -70.62 0.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.789 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 76' ' ' VAL . 19.3 pttp 176.34 69.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 77' ' ' LYS . 9.9 p -38.1 157.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.996 0.427 . . . . 0.0 110.173 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.494 ' N ' HG22 ' A' ' 76' ' ' VAL . 6.0 tppt? -119.9 -39.81 2.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.29 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.531 ' CG ' ' HE ' ' B' ' 38' ' ' ARG . 12.2 t0 83.58 -69.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.582 0.551 . . . . 0.0 110.544 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.8 -72.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.464 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -153.53 166.48 32.59 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.672 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.3 36.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.961 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.589 ' O ' ' N ' ' A' ' 85' ' ' LEU . 95.5 mt-10 -72.28 -68.34 0.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.379 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLU . 60.9 mm-40 -34.76 -39.25 0.09 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.616 0.722 . . . . 0.0 109.985 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -69.33 -46.85 66.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.073 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' A' ' 82' ' ' GLU . 42.2 mt -62.32 -13.8 32.58 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 110.332 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -83.06 -46.58 12.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.572 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.35 -45.86 91.97 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.21 -49.55 75.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.675 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -58.9 -41.62 87.66 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.934 0.397 . . . . 0.0 110.439 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -59.58 -36.51 76.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.386 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.0 t -72.7 -60.28 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.141 0.496 . . . . 0.0 110.284 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -49.75 -42.12 45.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' A' ' 96' ' ' GLN . 26.2 t0 -88.62 58.86 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.045 179.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' NZ ' ' CD2' ' A' ' 107' ' ' HIS . 53.1 mtpt -39.38 -58.58 1.21 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 5.4 p30 -63.41 -13.38 39.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.654 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 93' ' ' ASP . 74.4 mt-30 48.57 69.08 0.6 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.507 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.462 ' O ' ' CE1' ' A' ' 99' ' ' TYR . 10.3 m120 -107.83 -1.72 20.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.315 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.36 2.09 62.13 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.652 ' CB ' HE21 ' A' ' 135' ' ' GLN . 1.1 m-85 -145.47 150.69 36.95 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.9 mt -96.98 111.0 26.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 p -84.05 154.73 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.107 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.6 -44.24 80.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.1 p -61.23 -44.82 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.94 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.446 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 37.4 mt-10 -61.31 -53.63 54.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.099 0.476 . . . . 0.0 109.987 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.6 tp -62.35 -21.5 65.36 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.26 0.552 . . . . 0.0 110.429 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.593 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.1 ttm180 -83.3 -40.71 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.983 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.543 ' HD1' ' C ' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -56.91 -52.47 65.05 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 112' ' ' LEU . 10.8 t -60.82 -64.46 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.25 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -32.57 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.532 0.52 . . . . 0.0 111.16 -179.015 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.583 HG23 ' N ' ' A' ' 111' ' ' ASN . 10.8 tp -53.22 -44.93 54.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.788 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.583 ' N ' HG23 ' A' ' 110' ' ' ILE . 55.7 t30 -69.23 -8.7 48.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.487 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 108' ' ' VAL . 11.1 tp -86.92 18.01 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.825 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.76 -10.71 37.49 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -86.04 141.96 29.09 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.488 ' C ' HD22 ' A' ' 116' ' ' LEU . 24.5 mtmm -104.49 94.31 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.642 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.493 HD11 ' NE ' ' B' ' 22' ' ' ARG . 3.9 mm? -108.66 130.58 55.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.252 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.7 p -68.66 172.57 6.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.236 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 45.4 p-10 -72.33 -34.24 67.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -68.8 -39.54 80.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.588 179.76 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.498 ' OE1' ' NH1' ' B' ' 22' ' ' ARG . 6.9 mm-40 -63.61 -46.14 87.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.174 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.593 HG11 ' HE ' ' A' ' 106' ' ' ARG . 71.3 t -62.52 -47.12 94.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.47 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.64 -22.74 67.05 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.352 0.596 . . . . 0.0 110.383 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -75.45 -57.88 3.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.112 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.546 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 10.1 ttp -55.12 -48.89 73.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.489 HG23 ' N ' ' A' ' 126' ' ' LYS . 4.4 tp -58.8 -42.38 85.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.494 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.489 ' N ' HG23 ' A' ' 125' ' ' ILE . 55.4 mttp -69.13 -37.82 78.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.237 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -79.02 -61.95 1.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.195 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -45.19 -30.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.61 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 41.5 t0 -87.28 118.0 26.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.45 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.96 ' H ' HD22 ' A' ' 130' ' ' LEU . 1.3 mm? -65.95 -48.43 71.35 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.461 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 13.3 p-10 -92.97 -5.42 50.74 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.091 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.53 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 67.43 -125.65 23.98 Favored Glycine 0 C--O 1.225 -0.411 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 132' ' ' GLY . 1.7 m-20 79.73 8.95 1.57 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.765 0.317 . . . . 0.0 110.492 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.41 13.19 49.1 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.652 HE21 ' CB ' ' A' ' 99' ' ' TYR . 51.7 tt0 -144.72 136.73 25.96 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.7 t -113.2 126.44 70.62 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.206 0.527 . . . . 0.0 110.431 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -91.84 150.0 21.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.569 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.472 ' CE2' HG21 ' A' ' 142' ' ' VAL . 58.9 t80 -44.64 -40.32 5.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.298 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.47 -51.45 69.81 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.414 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.443 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 91.0 mt-10 -60.88 -39.68 90.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.059 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -59.23 -50.98 71.95 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.688 0.756 . . . . 0.0 110.093 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.472 HG21 ' CE2' ' A' ' 138' ' ' TYR . 54.3 t -56.75 -42.32 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.772 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 147' ' ' THR . 50.6 mttm -56.27 -38.3 70.99 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.648 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.9 ttt -62.64 -40.35 96.74 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.97 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 16.0 mmm -78.9 -15.19 58.65 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.581 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.5 ' O ' ' OG1' ' A' ' 147' ' ' THR . 53.8 mtt -132.17 32.32 4.01 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.312 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.55 ' N ' ' O ' ' A' ' 143' ' ' LYS . 1.3 m 158.92 105.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.853 0.721 . . . . 0.0 110.239 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.47 HG21 ' HE ' ' B' ' 20' ' ' ARG . 93.4 t -80.63 -67.39 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.26 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 . . . . . 0 C--N 1.324 -0.523 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.85 -179.633 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.47 ' HE ' HG21 ' A' ' 148' ' ' VAL . 74.6 ttt-85 -59.51 -47.37 85.8 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.128 0.49 . . . . 0.0 110.586 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -68.0 -36.28 79.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.352 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.498 ' NH1' ' OE1' ' A' ' 120' ' ' GLU . 34.6 ttm180 -61.96 -44.43 96.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.546 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 0.5 OUTLIER -60.14 -47.91 83.92 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.367 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -65.86 -34.57 78.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.705 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.0 t -61.83 -44.44 96.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.834 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.552 ' O ' HG23 ' B' ' 30' ' ' VAL . 20.4 p -61.18 -42.83 99.27 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.148 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -68.89 -42.11 82.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.401 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 68.1 p -67.46 -45.95 74.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.247 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.64 -41.21 89.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 26' ' ' SER . 26.7 t -60.62 -44.43 96.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.031 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -62.66 -40.07 95.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.234 -0.586 . . . . 0.0 109.96 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.56 -38.28 80.63 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.343 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.554 ' HE ' ' CG ' ' A' ' 11' ' ' ASP . 2.6 ttm180 -64.4 -43.64 93.8 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.824 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 40.06 61.45 1.5 Allowed 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -74.87 29.42 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.188 0.518 . . . . 0.0 109.964 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' B' ' 34' ' ' ALA . 25.7 ttm180 -148.93 -7.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.124 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.479 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.3 m-85 67.09 51.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.322 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.531 ' HE ' ' CG ' ' A' ' 78' ' ' ASP . 43.6 mtm-85 -50.35 -36.43 32.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.412 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 7.7 tpt -62.97 -70.27 0.22 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 110.932 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.413 HD13 HD11 ' A' ' 32' ' ' LEU . 69.5 mt -62.82 -43.33 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.607 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 35.4 t -53.55 -45.54 69.91 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.224 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -64.82 -40.28 94.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.267 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.499 HD12 ' N ' ' B' ' 43' ' ' LEU . 11.2 mp . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.238 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.583 ' CG ' ' H ' ' A' ' 3' ' ' ILE . 16.5 p-10 -160.1 -95.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.678 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.583 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 41.1 mm -59.28 -56.6 15.99 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.487 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.4 ' CB ' ' O ' ' A' ' 3' ' ' ILE . 1.0 OUTLIER 166.83 78.46 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 O-C-N 123.747 0.654 . . . . 0.0 110.637 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -72.91 161.48 30.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.795 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.527 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 42.0 mp0 -55.97 -22.06 24.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.402 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.2 -54.62 38.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 8' ' ' GLN . 4.9 mp0 -48.54 -39.29 22.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.585 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.5 mp -69.66 -43.22 80.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.357 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.7 t -61.63 -49.85 82.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.17 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.02 -48.87 78.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.021 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.8 -42.29 88.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.359 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -64.74 -35.12 80.03 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.415 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.66 -49.53 77.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.258 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' HB1' ' HE1' ' B' ' 37' ' ' PHE . . . -62.43 -37.08 84.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -60.11 -51.1 71.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.581 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.69 -31.14 74.24 Favored Glycine 0 N--CA 1.453 -0.172 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.64 -52.61 62.65 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.242 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.605 ' CE1' HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -60.39 -29.97 69.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.971 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -94.76 81.55 3.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.624 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -73.4 -16.16 61.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.616 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 1.9 p30 -112.63 26.99 10.02 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.741 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 21.75 61.49 0.02 OUTLIER Glycine 0 C--N 1.34 0.753 0 O-C-N 123.785 0.678 . . . . 0.0 111.897 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 53.1 m-20 -89.91 -27.65 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.102 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.13 -1.98 28.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.4 p -159.96 165.91 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.626 0.25 . . . . 0.0 110.379 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 52.8 mt -109.55 111.8 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -80.37 -168.06 1.56 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 -179.629 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.459 ' H ' HG22 ' A' ' 28' ' ' THR . 67.9 t -81.4 -50.23 16.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.39 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -62.1 -45.01 95.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.172 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -53.79 -48.06 70.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.652 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.605 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.6 tp -61.91 -41.86 98.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.496 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.25 -51.95 66.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.359 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.4 m -56.18 -47.86 77.47 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.053 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.541 HG11 ' CE1' ' A' ' 19' ' ' PHE . 72.2 t -61.83 -44.08 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.113 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 40' ' ' ASP . 66.6 mt -62.36 -42.94 97.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.204 179.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.519 ' O ' ' O ' ' A' ' 40' ' ' ASP . 61.1 ttm-85 -51.55 -57.64 8.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.051 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 t -62.72 -40.79 98.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.955 0.407 . . . . 0.0 110.106 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 39' ' ' LEU . 37.5 tp -77.22 -3.49 39.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.982 0.896 . . . . 0.0 110.026 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 36' ' ' ILE . 29.5 t0 -158.12 -140.97 0.08 Allowed 'General case' 0 C--N 1.311 -1.072 0 O-C-N 121.51 -0.744 . . . . 0.0 110.589 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.507 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 97.9 mm-40 -107.69 -87.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.143 0.497 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -168.76 63.23 0.53 Allowed Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.758 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.91 140.42 66.48 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.58 2.186 . . . . 0.0 111.65 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 47' ' ' GLU . 6.1 t -51.23 133.53 28.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.204 0.526 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -52.14 -19.75 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.431 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -61.69 -44.94 95.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.722 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' H ' HG23 ' A' ' 44' ' ' THR . 80.6 tt0 -67.0 -30.76 70.96 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.375 0.607 . . . . 0.0 110.455 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.492 HD22 HD13 ' A' ' 36' ' ' ILE . 15.6 mt -75.71 -45.78 34.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.975 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -69.06 -23.68 64.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.091 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.49 -57.01 6.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.577 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -66.58 -37.65 85.36 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.682 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.671 ' CD1' HD11 ' A' ' 63' ' ' ILE . 5.7 mm -72.46 -13.11 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.727 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -91.75 -36.05 13.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.145 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.6 -40.09 96.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.993 0.425 . . . . 0.0 111.367 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.9 t -84.52 -11.74 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.94 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -80.2 99.38 7.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.695 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.77 3.97 46.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.764 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -129.14 21.61 5.74 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.825 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.1 39.47 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.582 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 52.0 p-10 -87.76 -27.23 22.47 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 121.2 -0.2 . . . . 0.0 110.636 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 87.09 9.13 74.17 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.483 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 22.4 p -134.11 160.75 36.84 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.916 0.388 . . . . 0.0 110.463 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.671 HD11 ' CD1' ' A' ' 52' ' ' ILE . 70.5 mt -109.59 131.12 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.084 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.556 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 52.6 mp0 -107.22 160.04 15.89 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.221 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -44.68 -48.56 10.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.694 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.544 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 15.5 p-10 -60.85 -34.7 75.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.067 0.46 . . . . 0.0 110.298 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HB2' ' H ' ' A' ' 64' ' ' GLU . 92.6 mt-10 -77.27 -43.61 32.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.592 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.4 -45.61 93.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.865 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.601 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.8 tt -62.39 -46.35 89.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.182 0.515 . . . . 0.0 109.938 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.2 t -60.67 -41.61 95.41 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.212 0.529 . . . . 0.0 110.8 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.8 tp -56.71 -53.12 61.37 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.462 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.517 ' O ' ' O ' ' A' ' 75' ' ' LYS . 11.2 mmt -70.79 -38.81 73.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.9 -32.02 8.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.523 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -81.12 -40.2 24.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.631 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.517 ' O ' ' O ' ' A' ' 72' ' ' MET . 13.6 mptt -88.43 144.84 26.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.036 0.446 . . . . 0.0 109.886 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 t 68.43 40.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.504 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -158.38 109.76 2.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.898 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 77.57 21.44 1.0 Allowed 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.79 0.681 . . . . 0.0 110.453 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 70.8 p -62.42 -83.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.675 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.409 ' N ' ' OG1' ' A' ' 79' ' ' THR . 27.1 t70 -175.03 149.68 1.12 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.389 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.51 -54.87 14.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.737 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -54.56 -20.78 8.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.648 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -79.0 -58.14 3.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.164 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.51 -35.21 77.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.42 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.72 -41.85 95.67 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -80.91 -39.41 26.31 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.262 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 91' ' ' VAL . 9.8 tm-20 -61.19 -39.66 91.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.23 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.95 -59.1 4.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.834 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -55.03 -31.82 61.39 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.353 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.434 ' HA ' HE22 ' A' ' 96' ' ' GLN . 65.8 tttm -64.0 -39.91 95.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.428 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 87' ' ' GLU . 90.4 t -73.54 -47.32 45.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.134 0.493 . . . . 0.0 111.126 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -63.4 -49.37 74.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.695 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.428 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 21.5 t0 -77.37 62.03 2.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.978 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -43.92 -58.39 2.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.405 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 0.5 OUTLIER -71.36 3.68 3.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 111.005 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.434 HE22 ' HA ' ' A' ' 90' ' ' LYS . 65.8 mm-40 46.09 25.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.016 0.436 . . . . 0.0 110.579 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.3 p-10 -65.71 -7.04 13.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.78 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.428 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 88.46 -0.09 82.8 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -136.7 140.9 43.01 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.8 mt -95.84 117.83 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.091 0.472 . . . . 0.0 110.073 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 t -88.19 145.98 25.62 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.77 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.11 -45.93 44.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.225 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.5 t -59.86 -43.17 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 110.38 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' OE1' ' OD1' ' A' ' 95' ' ' ASP . 44.3 mt-10 -63.83 -51.04 66.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.169 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 105' ' ' LEU . 2.4 tp -65.61 -26.85 68.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.896 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.525 ' HE ' HG11 ' A' ' 121' ' ' VAL . 43.6 ttm180 -78.34 -44.03 26.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.099 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -55.93 -49.7 72.77 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.588 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 109' ' ' MET . 55.1 t -62.88 -62.38 1.21 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.914 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -31.72 -71.17 0.06 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.799 0.333 . . . . 0.0 110.984 -178.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.58 HG23 ' N ' ' A' ' 111' ' ' ASN . 16.6 tt -53.14 -44.3 51.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.533 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.58 ' N ' HG23 ' A' ' 110' ' ' ILE . 62.2 t30 -48.23 -11.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.634 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.553 ' O ' ' NH2' ' B' ' 33' ' ' ARG . 74.9 mt -86.97 12.9 10.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.222 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.03 5.48 75.92 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -93.33 138.25 31.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.811 0.339 . . . . 0.0 110.432 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -84.58 93.43 8.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.413 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 116' ' ' LEU . 4.3 mm? -97.61 129.97 44.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.446 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.7 p -90.86 162.14 14.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.246 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.77 -33.97 77.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.342 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.16 -47.44 74.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.614 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.0 -43.71 95.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.577 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.525 HG11 ' HE ' ' A' ' 106' ' ' ARG . 90.1 t -62.36 -43.83 98.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.576 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -67.26 -24.41 65.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.542 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.15 -59.19 2.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.052 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.623 ' SD ' ' N ' ' A' ' 125' ' ' ILE . 3.7 ppp? -58.06 -43.47 86.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.623 ' N ' ' SD ' ' A' ' 124' ' ' MET . 3.5 tp -62.8 -36.96 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-O 121.084 0.469 . . . . 0.0 110.174 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -63.67 -39.59 94.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.231 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -75.49 -46.49 32.04 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.491 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -61.47 -39.99 92.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.081 0.467 . . . . 0.0 110.278 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 54.0 t0 -79.23 105.82 10.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.075 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.82 -43.3 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.191 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 10.0 p30 -89.12 1.96 54.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.633 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 45.4 33.51 4.33 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.511 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.1 p-10 -71.21 -11.23 60.82 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.617 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.28 6.28 57.74 Favored Glycine 0 N--CA 1.465 0.586 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -148.8 160.35 43.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.837 0.351 . . . . 0.0 110.348 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.11 125.49 72.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.367 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.65 HD22 ' N ' ' A' ' 137' ' ' ASN . 0.6 OUTLIER -91.42 172.92 8.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.315 179.45 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -59.43 -40.34 86.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.421 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -60.29 -54.48 45.18 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.048 0.451 . . . . 0.0 110.698 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -60.45 -34.85 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.262 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.45 -46.46 89.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.65 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.6 t -59.8 -45.65 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.261 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -59.92 -38.03 81.16 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.808 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 74.9 mmm -67.91 -30.39 69.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.15 0.5 . . . . 0.0 110.381 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.7 mmt -74.09 -29.34 61.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.197 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.507 ' O ' HG23 ' A' ' 148' ' ' VAL . 94.2 mmm -56.84 167.52 0.77 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.8 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 149' ' ' ARG . 0.0 OUTLIER -46.78 -51.39 16.48 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.377 -179.314 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 146' ' ' MET . 68.5 t 61.48 -66.88 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 O-C-N 123.853 0.72 . . . . 0.0 111.333 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 147' ' ' THR . 28.1 ptt-85 . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 117.809 -1.091 . . . . 0.0 110.699 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.528 ' NH1' HE21 ' B' ' 21' ' ' GLN . 7.2 ptm180 -60.14 -36.53 77.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.318 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.528 HE21 ' NH1' ' B' ' 20' ' ' ARG . 92.2 mm-40 -64.84 -41.65 95.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.542 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -62.36 -38.6 90.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.491 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 3.0 m95 -66.45 -51.08 60.67 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-O 121.204 0.526 . . . . 0.0 110.136 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -65.82 -36.81 84.55 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.145 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 68.9 m -60.19 -44.47 95.08 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.111 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -60.16 -44.35 95.07 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.231 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.466 ' O ' HG12 ' B' ' 30' ' ' VAL . 96.2 t -70.66 -41.06 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.466 0.65 . . . . 0.0 110.523 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.0 p -71.22 -36.61 71.93 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.079 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 57.2 mt -66.3 -44.07 91.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.562 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.466 HG12 ' O ' ' B' ' 27' ' ' VAL . 0.3 OUTLIER -63.47 -36.67 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 C-N-CA 120.496 -0.481 . . . . 0.0 109.895 -179.003 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -69.98 -47.19 63.23 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.644 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -69.53 -34.67 74.57 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.042 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.553 ' NH2' ' O ' ' A' ' 112' ' ' LEU . 49.9 ttm-85 -60.9 -52.16 66.21 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.498 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 22.66 48.41 0.01 OUTLIER 'General case' 0 C--N 1.349 0.553 0 O-C-N 124.13 0.894 . . . . 0.0 111.255 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' B' ' 33' ' ' ARG . 70.8 ttt-85 -55.15 -8.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.145 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' B' ' 34' ' ' ALA . 10.4 ptp85 -111.22 8.34 21.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.823 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.503 ' HE1' ' HB1' ' A' ' 15' ' ' ALA . 2.4 m-85 47.36 78.69 0.07 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.256 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -59.95 -32.91 71.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.398 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.427 ' O ' ' N ' ' B' ' 43' ' ' LEU . 6.5 tpt -68.12 -60.63 2.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.25 0.548 . . . . 0.0 110.702 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.41 -42.57 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.353 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 46.8 t -58.59 -44.02 89.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.337 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.524 ' O ' ' C ' ' B' ' 43' ' ' LEU . 25.2 t-20 -90.06 -6.38 55.57 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 118.784 -0.627 . . . . 0.0 111.211 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 117.588 -1.196 . . . . 0.0 111.353 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -99.85 116.31 31.63 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.945 HG23 ' H ' ' A' ' 4' ' ' LEU . 13.1 tt -172.81 -67.6 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.958 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.693 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.945 ' H ' HG23 ' A' ' 3' ' ' ILE . 0.6 OUTLIER 41.7 126.57 0.0 OUTLIER 'General case' 0 C--N 1.35 0.594 0 O-C-N 125.249 1.593 . . . . 0.0 111.566 -179.184 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 m -130.36 -171.37 2.53 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 120.759 -1.213 . . . . 0.0 110.24 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.579 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 43.2 mp0 -55.77 -27.27 50.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.279 -179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 7' ' ' GLU . 46.8 mp0 -49.44 -61.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.989 0.423 . . . . 0.0 110.376 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -49.15 -45.77 44.25 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.789 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.53 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.3 mp -64.64 -41.22 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.213 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 6' ' ' GLU . 23.4 t -58.91 -49.51 82.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.949 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.58 -52.26 65.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.277 0.561 . . . . 0.0 110.144 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -62.48 -43.63 98.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.921 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -60.56 -36.01 77.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.387 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -60.45 -51.08 71.01 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.874 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.05 78.2 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.272 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.26 -49.3 76.5 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.168 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.09 -36.96 57.6 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.63 -49.55 76.12 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.535 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.551 ' CD1' HD12 ' A' ' 32' ' ' LEU . 3.4 m-85 -60.28 -38.06 82.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.263 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' OD2' ' OD1' ' A' ' 24' ' ' ASP . 53.1 t0 -96.35 76.53 2.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -61.32 -38.28 86.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.165 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' A' ' 23' ' ' GLY . 21.4 p-10 -86.15 32.0 0.63 Allowed 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.82 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.512 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 13.76 60.13 0.01 OUTLIER Glycine 0 C--N 1.351 1.393 0 O-C-N 124.179 0.924 . . . . 0.0 111.555 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 50.9 p-10 -88.49 -26.41 22.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 110.369 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.516 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.65 14.03 15.14 Favored Glycine 0 N--CA 1.467 0.721 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.5 p -166.32 170.25 13.29 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.44 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -113.92 115.94 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -83.94 -177.91 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.15 0.5 . . . . 0.0 110.972 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -81.49 -47.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.562 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.94 -42.71 97.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 42.0 mt-10 -61.62 -47.13 86.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.473 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.551 HD12 ' CD1' ' A' ' 19' ' ' PHE . 6.0 tp -59.89 -37.62 79.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.107 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.91 79.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.653 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.2 m -60.44 -46.23 90.79 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.237 0.542 . . . . 0.0 110.529 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.71 -45.44 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.363 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' ASP . 78.7 mt -57.09 -42.43 79.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.686 -0.406 . . . . 0.0 109.932 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -66.83 -23.41 66.04 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.188 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.4 p -74.13 -39.3 63.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.065 0.46 . . . . 0.0 110.859 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 1.6 pp -95.03 14.73 20.88 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.875 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 13.2 t0 87.7 165.36 0.07 Allowed 'General case' 0 CA--C 1.518 -0.267 0 O-C-N 123.878 0.736 . . . . 0.0 109.319 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 27.4 tt0 86.03 133.61 0.04 OUTLIER 'General case' 0 C--O 1.225 -0.192 0 O-C-N 123.84 0.712 . . . . 0.0 109.982 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -132.2 74.51 76.16 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -76.46 149.04 30.47 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.467 HG23 ' H ' ' A' ' 47' ' ' GLU . 9.6 t -58.44 142.97 47.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.158 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 6.0 pm0 -58.84 -26.7 64.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.43 -42.93 74.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.561 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.467 ' H ' HG23 ' A' ' 44' ' ' THR . 95.8 mt-10 -69.82 -28.7 65.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.545 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt -74.94 -50.29 17.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.027 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -64.33 -37.3 87.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.258 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -65.0 -45.63 84.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.405 ' O ' HG12 ' A' ' 55' ' ' VAL . 41.9 ttm -57.84 -48.8 78.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.954 0.407 . . . . 0.0 110.283 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.54 -42.63 90.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 t -64.57 -43.57 93.46 Favored 'General case' 0 C--N 1.316 -0.871 0 O-C-N 124.016 0.823 . . . . 0.0 111.074 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -58.5 -41.68 85.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.291 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.6 p -109.16 44.72 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.068 0.461 . . . . 0.0 110.72 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -101.13 107.86 19.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.771 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.408 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . . . -86.07 -14.75 43.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.76 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 60' ' ' ASN . 2.9 m-20 -121.43 14.37 11.14 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.53 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.54 26.79 0.01 OUTLIER Glycine 0 C--N 1.343 0.931 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' A' ' 58' ' ' ASP . 19.5 p-10 -82.23 -33.2 29.39 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.795 -178.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.52 9.97 24.26 Favored Glycine 0 N--CA 1.466 0.674 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.524 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 7.1 p -138.53 156.17 47.75 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.915 0.388 . . . . 0.0 110.39 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.7 mt -95.02 123.86 47.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.279 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -86.64 159.92 19.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.916 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -45.82 -51.62 12.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 110.497 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -60.11 -37.3 79.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.881 0.372 . . . . 0.0 110.152 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.408 ' OE2' ' HB3' ' A' ' 57' ' ' ALA . 98.0 mt-10 -71.5 -49.58 39.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.799 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -56.78 -44.45 81.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.145 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.527 ' O ' HD23 ' A' ' 69' ' ' LEU . 5.6 tt -61.28 -50.85 71.37 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.552 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.4 m -62.38 -43.54 98.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.06 0.457 . . . . 0.0 110.825 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.8 tt -55.21 -52.82 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 -178.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -37.52 81.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.925 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.08 -28.16 37.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.572 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -71.84 -53.0 14.65 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.998 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 76' ' ' VAL . 1.7 tttp -43.85 -82.29 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.6 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.505 ' C ' ' O ' ' A' ' 75' ' ' LYS . 21.7 t -4.89 119.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 O-C-N 124.846 1.341 . . . . 0.0 111.201 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.481 ' HB3' ' H ' ' A' ' 78' ' ' ASP . 3.3 mmtm 171.8 -117.47 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.507 0.504 . . . . 0.0 109.654 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 80' ' ' ASP . 64.5 t0 -173.48 -92.17 0.01 OUTLIER 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 80' ' ' ASP . 3.1 p 63.74 -57.5 0.2 Allowed 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.256 0.348 . . . . 0.0 110.997 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 78' ' ' ASP . 94.5 m-20 -90.0 108.72 19.89 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.31 0.576 . . . . 0.0 110.664 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.07 -55.61 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.224 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 80.2 mm-40 -55.19 -22.86 19.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -77.12 -60.44 2.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -66.94 -35.11 79.24 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.684 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.565 HD21 HG22 ' A' ' 142' ' ' VAL . 12.2 tp -65.89 -40.64 91.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.082 0.468 . . . . 0.0 110.968 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 69.0 mmtt -82.6 -47.34 12.21 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.052 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -57.8 -42.41 84.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.091 0.472 . . . . 0.0 109.814 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.75 -55.02 38.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.707 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -62.64 -27.91 69.54 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.411 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.517 ' HA ' HE22 ' A' ' 96' ' ' GLN . 87.4 tttt -65.11 -41.7 94.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.8 t -76.31 -44.86 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.013 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.4 -48.87 79.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.141 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.579 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 39.2 t0 -85.5 60.49 6.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.732 -0.387 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -41.33 -56.96 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.444 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.475 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -66.96 -6.56 17.26 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.802 -179.301 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' A' ' 93' ' ' ASP . 99.6 mm-40 43.96 48.62 7.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.685 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -87.78 -3.46 58.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.357 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.97 -0.75 60.72 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 13.3 m-85 -144.19 149.06 35.82 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 120.669 0.271 . . . . 0.0 110.601 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.0 mt -95.41 111.36 25.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.69 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.7 m -84.53 147.96 26.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.74 45.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.369 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.3 t -58.61 -41.67 86.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.387 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.475 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 51.4 mt-10 -65.05 -51.65 60.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.422 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.7 tp -66.78 -27.16 67.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.379 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.522 ' NH2' ' OD1' ' A' ' 118' ' ' ASP . 72.9 ttt180 -80.44 -42.17 23.14 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -57.86 -50.0 74.77 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.922 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 109' ' ' MET . 47.2 t -62.67 -63.06 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.716 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' VAL . 5.4 tpt -32.85 -72.85 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.038 0.447 . . . . 0.0 111.38 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.615 HG23 ' N ' ' A' ' 111' ' ' ASN . 19.6 tt -52.42 -45.6 45.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.921 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.615 ' N ' HG23 ' A' ' 110' ' ' ILE . 47.7 t30 -50.33 -8.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.719 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' A' ' 110' ' ' ILE . 70.2 mt -105.65 -157.46 0.61 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.208 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -97.64 52.42 1.32 Allowed Glycine 0 CA--C 1.52 0.37 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.401 ' OE1' ' CE ' ' A' ' 109' ' ' MET . 39.5 tt0 -159.08 111.5 2.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.471 ' C ' HD22 ' A' ' 116' ' ' LEU . 64.1 mttp -106.69 109.46 21.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.847 0.356 . . . . 0.0 111.356 -179.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.491 HD12 ' CB ' ' A' ' 120' ' ' GLU . 4.1 mm? -115.08 140.85 48.72 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.649 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.446 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 68.6 p -63.06 170.82 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.029 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.522 ' OD1' ' NH2' ' A' ' 106' ' ' ARG . 99.1 m-20 -67.68 -23.74 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.736 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.3 mp0 -70.47 -45.08 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.755 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 6.9 mp0 -70.2 -43.77 70.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.433 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.39 -46.9 95.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.194 0.521 . . . . 0.0 110.144 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -65.53 -31.12 72.01 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.096 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -61.82 -55.18 32.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.429 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.608 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 11.6 ttp -56.1 -43.43 78.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.342 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.9 mm -58.32 -38.27 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.129 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -81.5 -27.37 34.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.987 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -85.47 -65.93 0.96 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.931 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.417 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -46.52 -37.3 7.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.527 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.486 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 51.1 t0 -76.44 122.11 24.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.005 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 130' ' ' LEU . 3.8 mm? -66.2 -48.52 70.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.665 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 11.9 p-10 -97.59 -2.35 41.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.486 ' O ' ' OD2' ' A' ' 129' ' ' ASP . . . 61.81 -117.39 11.38 Favored Glycine 0 C--O 1.223 -0.54 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 2.5 m-20 80.78 -19.16 0.45 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.785 0.326 . . . . 0.0 110.437 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.53 7.57 53.71 Favored Glycine 0 N--CA 1.464 0.533 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.48 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 13.2 mt-30 -147.83 149.21 31.89 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.999 0.428 . . . . 0.0 110.43 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.9 t -116.85 126.07 74.1 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.15 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.929 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.555 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 17.0 t-20 -87.49 154.63 20.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.656 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.43 ' CZ ' HG21 ' A' ' 142' ' ' VAL . 53.2 t80 -47.08 -43.77 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.258 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -59.99 -49.38 77.9 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.442 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.454 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 92.4 mt-10 -61.72 -39.68 92.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.942 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -61.37 -48.4 81.42 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.565 HG22 HD21 ' A' ' 85' ' ' LEU . 38.2 t -58.96 -46.89 91.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.081 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -61.08 -32.07 71.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.0 tpt -71.24 -35.03 71.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 110.929 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.0 mmm -75.42 -24.36 57.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.149 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.508 ' O ' HG23 ' A' ' 148' ' ' VAL . 78.6 mtp -47.76 164.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.071 0.462 . . . . 0.0 110.789 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 149' ' ' ARG . 0.2 OUTLIER -41.77 -35.06 0.72 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.53 -179.326 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 146' ' ' MET . 26.2 t 58.77 -73.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.186 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 147' ' ' THR . 80.0 mtp180 . . . . . 0 C--N 1.318 -0.761 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.502 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.463 ' NH1' ' NH2' ' B' ' 24' ' ' ARG . 47.2 ptt85 -60.67 -39.14 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.478 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.24 -38.56 90.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.345 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -59.8 -44.57 93.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.099 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.608 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 3.4 m95 -59.96 -50.07 75.2 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.226 0.536 . . . . 0.0 110.019 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.463 ' NH2' ' NH1' ' B' ' 20' ' ' ARG . 87.9 mtm180 -65.8 -36.28 83.06 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.929 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 60.9 m -60.45 -45.09 94.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.145 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.455 ' O ' HG23 ' B' ' 30' ' ' VAL . 85.9 p -59.31 -44.84 92.51 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.088 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 97.4 t -68.43 -42.33 83.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.086 0.469 . . . . 0.0 110.327 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 37.9 t -62.53 -42.64 99.66 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.824 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.81 -41.76 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 26' ' ' SER . 53.6 t -59.26 -42.19 86.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.475 ' HD3' ' H ' ' A' ' 77' ' ' LYS . 18.8 ttmt -59.24 -43.46 92.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.517 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -65.23 -41.17 94.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.331 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.598 ' O ' ' N ' ' B' ' 35' ' ' ARG . 58.2 ttp180 -68.14 -46.42 70.86 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.526 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 55.79 -73.91 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 123.394 0.434 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.598 ' N ' ' O ' ' B' ' 33' ' ' ARG . 64.9 ttt180 69.39 -37.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.567 0.542 . . . . 0.0 110.222 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.526 ' H ' ' C ' ' B' ' 34' ' ' ALA . 71.1 ttt180 -92.99 -10.64 35.58 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.163 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.516 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 1.5 m-85 70.44 64.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.146 0.498 . . . . 0.0 110.155 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.479 ' HB3' ' HZ1' ' A' ' 75' ' ' LYS . 76.4 mtp85 -51.38 -41.72 60.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.025 0.44 . . . . 0.0 110.351 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.497 ' SD ' ' C ' ' B' ' 39' ' ' MET . 0.4 OUTLIER -63.77 -65.04 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 -179.327 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.425 HD13 HD11 ' A' ' 32' ' ' LEU . 96.0 mt -63.03 -43.27 98.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.717 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 96.2 p -54.91 -42.41 72.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.18 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -65.23 -40.98 94.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.401 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.412 -179.924 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.1 t0 70.01 -53.03 0.63 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.633 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 tt -137.31 135.79 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.387 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.4 mt -128.2 168.4 15.49 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.63 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 t -71.55 138.04 48.53 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.759 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.415 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 38.9 mp0 -58.22 -22.11 50.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.509 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -56.6 -58.48 7.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.231 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.48 ' CG ' ' N ' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -47.15 -41.8 18.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -179.812 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.48 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 4.8 mm -66.07 -42.56 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.229 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.8 t -59.02 -48.25 87.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.978 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -57.9 -53.73 54.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.123 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -60.38 -42.89 96.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.194 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -64.99 -37.13 86.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.652 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -58.54 -51.45 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.191 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.34 89.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.293 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -60.13 -49.79 76.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.39 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.92 -32.44 75.14 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.607 ' O ' HD23 ' A' ' 18' ' ' LEU . 4.0 tt -64.64 -51.93 60.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.536 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CE2' ' CD1' ' B' ' 37' ' ' PHE . 0.9 OUTLIER -52.02 -25.91 9.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 -179.36 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 35.2 t0 -109.71 89.91 3.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.418 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' NZ ' HG22 ' A' ' 35' ' ' VAL . 44.4 mttp -63.39 -29.24 70.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.13 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.585 ' O ' ' C ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -97.91 31.98 2.51 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 -179.617 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.585 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.46 66.56 0.01 OUTLIER Glycine 0 N--CA 1.469 0.835 0 O-C-N 123.584 0.553 . . . . 0.0 111.778 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 22' ' ' ASP . 74.6 m-20 -88.61 -24.52 22.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.73 9.03 23.67 Favored Glycine 0 N--CA 1.465 0.616 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 23.4 p -169.58 124.8 0.83 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.789 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.8 mt -76.25 131.29 35.16 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 29' ' ' VAL . 57.5 m -106.48 156.74 18.24 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.611 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.444 ' N ' HG22 ' A' ' 28' ' ' THR . 74.2 t -51.35 -43.56 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.217 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.46 -59.52 5.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.423 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 82.0 mt-10 -55.38 -42.05 73.48 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.0 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.575 HD12 ' CD1' ' A' ' 19' ' ' PHE . 7.3 tp -62.97 -36.48 83.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.237 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.64 87.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.9 m -58.59 -47.28 84.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.521 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.421 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 80.6 t -62.44 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.723 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.8 mt -61.54 -44.43 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.738 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -63.68 -32.6 74.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.085 0.469 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 p -54.43 -17.67 3.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.496 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.458 ' C ' ' H ' ' A' ' 41' ' ' GLN . 5.8 mp -89.32 24.05 2.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.545 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 73.25 -16.4 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.514 0.509 . . . . 0.0 110.743 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' H ' ' C ' ' A' ' 39' ' ' LEU . 99.2 mm-40 -72.07 162.32 29.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.551 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.705 ' H ' HD22 ' A' ' 42' ' ' ASN . 0.0 OUTLIER -149.14 67.02 8.91 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.602 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -79.07 165.16 24.24 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.846 2.364 . . . . 0.0 111.932 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 47' ' ' GLU . 5.1 t -87.09 149.14 24.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.474 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.25 -20.7 63.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.747 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -62.86 -44.36 96.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.442 ' H ' HG23 ' A' ' 44' ' ' THR . 96.0 mt-10 -71.07 -26.58 63.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.704 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.5 mt -80.56 -44.77 18.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.086 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.74 -29.15 65.31 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.869 0.366 . . . . 0.0 110.142 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.86 -56.76 6.21 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 52' ' ' ILE . 0.5 OUTLIER -63.16 -33.77 76.18 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.884 0.373 . . . . 0.0 110.857 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.416 ' N ' ' HG3' ' A' ' 51' ' ' MET . 84.0 mt -74.76 -25.04 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.327 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 55' ' ' VAL . 46.0 t -89.06 -30.31 18.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.54 -0.89 0.19 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.483 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 57' ' ' ALA . 2.0 t -139.8 -52.01 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 66.7 t0 -48.89 87.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.57 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -42.49 -73.63 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.82 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.488 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.8 p30 -60.05 4.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 27.65 64.32 0.09 OUTLIER Glycine 0 C--N 1.341 0.828 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' OD1' ' O ' ' A' ' 62' ' ' THR . 48.0 p30 -102.16 27.78 6.38 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.758 0.314 . . . . 0.0 110.366 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 45.79 16.54 0.13 Allowed Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.475 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 52.8 p -137.75 134.11 34.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.771 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.5 mt -104.31 129.31 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.346 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -93.41 158.74 15.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.566 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -44.52 -49.45 10.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.444 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.9 -37.16 81.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.263 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.547 ' O ' HD13 ' A' ' 71' ' ' LEU . 95.4 mt-10 -73.54 -44.96 56.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.593 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -58.77 -43.71 90.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.231 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.7 tt -61.84 -45.57 93.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.017 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 p -67.72 -42.41 81.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.787 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 67' ' ' GLU . 7.2 mp -64.08 -43.2 96.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.0 tpt -63.79 -48.85 75.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.546 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -65.47 -42.27 92.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.563 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -65.73 12.39 0.06 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.546 ' H ' ' C ' ' A' ' 73' ' ' ALA . 2.9 ttmp? -159.03 48.35 0.33 Allowed 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 119.302 -0.38 . . . . 0.0 110.263 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 77' ' ' LYS . 1.0 OUTLIER 164.74 145.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.049 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER 152.63 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.343 0.308 0 O-C-N 124.459 1.1 . . . . 0.0 109.373 178.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.495 ' O ' ' OG1' ' A' ' 79' ' ' THR . 72.6 m-20 -152.67 -70.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.816 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 78' ' ' ASP . 7.4 p 62.61 -139.74 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.437 0.461 . . . . 0.0 111.424 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.66 155.81 35.4 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.818 0.818 . . . . 0.0 110.984 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.78 -52.26 9.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.808 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.92 -21.82 63.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.712 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -77.09 -52.67 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -73.69 -34.07 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.639 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.3 -32.61 70.45 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.616 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -84.42 -45.24 12.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.594 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.446 ' OE1' ' NH2' ' B' ' 38' ' ' ARG . 73.1 mm-40 -60.32 -42.01 94.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.181 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.95 -54.65 38.8 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' CZ ' ' OD2' ' A' ' 93' ' ' ASP . 56.1 t80 -58.2 -33.2 69.03 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.168 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.546 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 62.5 tttp -63.09 -37.98 89.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.48 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -75.34 -54.45 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 0.0 110.694 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -51.59 -45.86 63.32 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.703 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.564 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 12.3 m-20 -84.24 60.66 6.08 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -40.95 -58.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.392 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 9.5 p30 -69.0 -3.73 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.144 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.564 ' NE2' ' O ' ' A' ' 93' ' ' ASP . 98.5 mm-40 46.07 48.97 12.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.71 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.51 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 30.6 p30 -86.3 -4.37 59.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.496 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 99' ' ' TYR . . . 94.71 -3.05 67.6 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 4.8 m-85 -141.66 147.49 37.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 110.558 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 mt -93.27 113.88 28.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.272 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.7 t -92.35 153.03 19.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.403 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.35 -43.12 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.397 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.8 t -59.54 -42.42 92.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.285 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 65.9 mt-10 -66.22 -54.14 28.69 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.119 0.485 . . . . 0.0 110.583 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.538 HD21 ' CE ' ' A' ' 124' ' ' MET . 46.6 tp -61.67 -25.34 67.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.428 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.425 ' O ' HG22 ' A' ' 110' ' ' ILE . 80.0 ttt180 -78.95 -47.92 15.48 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.37 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -51.62 -53.74 35.28 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.689 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 109' ' ' MET . 38.7 t -60.51 -66.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.379 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.491 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.4 tpt -29.77 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.863 0.363 . . . . 0.0 111.251 -178.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.609 HG23 ' N ' ' A' ' 111' ' ' ASN . 9.5 tp -49.26 -45.96 18.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.015 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.609 ' N ' HG23 ' A' ' 110' ' ' ILE . 64.3 t30 -50.5 -8.47 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.617 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.525 ' H ' ' C ' ' A' ' 110' ' ' ILE . 72.9 mt -93.52 -112.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.622 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -155.05 48.89 0.49 Allowed Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -135.8 126.17 26.65 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.798 0.333 . . . . 0.0 110.531 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -89.6 98.74 11.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.367 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 55.9 mt -126.07 137.22 53.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.726 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.8 p -81.51 171.91 14.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.473 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 42.2 p-10 -62.65 -25.69 68.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.416 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.5 mt-10 -69.69 -42.41 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.078 0.465 . . . . 0.0 110.665 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.99 -42.48 66.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.744 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.34 -51.73 55.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.029 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.81 -29.95 70.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.122 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -66.11 -53.81 33.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.517 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.538 ' CE ' HD21 ' A' ' 105' ' ' LEU . 1.7 tmm? -52.31 -57.66 9.08 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 120.893 0.377 . . . . 0.0 111.088 -178.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.432 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 11.2 tt -52.52 -40.35 32.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.558 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.428 ' N ' HG23 ' A' ' 125' ' ' ILE . 90.8 mttt -64.41 -39.23 93.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.646 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.86 -45.91 66.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.559 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -58.57 -36.42 73.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.271 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 43.8 m-20 -67.84 105.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.03 0.443 . . . . 0.0 110.19 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.2 mt -76.97 -39.87 48.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.188 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.433 ' OD1' ' OD2' ' A' ' 133' ' ' ASP . 16.1 p30 -93.47 -1.57 55.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.052 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.422 ' O ' ' OD1' ' A' ' 133' ' ' ASP . . . 56.04 104.73 0.01 OUTLIER Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.433 ' OD2' ' OD1' ' A' ' 131' ' ' ASP . 31.6 m-20 -148.4 12.4 0.92 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.756 0.313 . . . . 0.0 110.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.02 -5.32 13.7 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -153.39 132.99 12.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.137 0.494 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.9 t -80.07 126.91 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.521 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -90.58 159.69 16.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.6 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -51.14 -40.24 58.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.379 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -62.78 -50.64 70.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.892 0.377 . . . . 0.0 110.549 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.55 -37.73 87.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.171 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.542 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 64.4 t80 -60.57 -46.72 89.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.288 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.86 -45.63 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.162 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -63.57 -34.98 79.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.938 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -66.53 -30.35 70.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.542 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 23.5 mtp -90.66 -18.86 24.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.474 -178.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 39.3 mtt -82.88 -92.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 149' ' ' ARG . 9.2 m -78.98 -17.73 54.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.757 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 148' ' ' VAL . 13.6 t 66.92 -5.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 O-C-N 123.375 0.422 . . . . 0.0 110.993 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.477 ' H ' ' C ' ' A' ' 147' ' ' THR . 84.2 mtt85 . . . . . 0 C--N 1.321 -0.637 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.623 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.624 ' HE ' ' NH2' ' B' ' 24' ' ' ARG . 41.8 ttp-105 -60.76 -47.09 87.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -71.32 -37.37 71.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -45.61 92.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.654 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.559 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 2.7 m95 -65.06 -47.17 78.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.113 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.624 ' NH2' ' HE ' ' B' ' 20' ' ' ARG . 88.6 mtm180 -65.66 -34.84 79.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.92 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 40.9 t -60.74 -46.82 88.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.509 ' O ' HG23 ' B' ' 30' ' ' VAL . 39.2 t -61.58 -41.25 97.15 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.345 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t -66.19 -46.0 88.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.757 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.0 m -69.39 -43.12 74.15 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.007 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.59 -42.4 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 26' ' ' SER . 38.9 t -64.0 -43.16 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.185 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -62.96 -45.39 92.67 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.567 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -65.94 -36.83 84.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.217 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' B' ' 34' ' ' ALA . 59.0 ttm-85 -60.96 -54.88 39.55 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.009 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.518 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 25.72 50.34 0.02 OUTLIER 'General case' 0 C--N 1.343 0.291 0 O-C-N 123.628 0.58 . . . . 0.0 111.146 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -58.56 -2.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.039 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.518 ' H ' ' C ' ' B' ' 34' ' ' ALA . 33.6 mmt180 -111.21 0.87 16.92 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.585 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.6 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER 54.01 58.06 5.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.364 179.176 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.446 ' NH2' ' OE1' ' A' ' 87' ' ' GLU . 53.9 mtp85 -55.47 -31.02 61.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.421 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 33.0 mmm -69.69 -63.14 1.13 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.988 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.33 -42.94 97.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.245 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 16.9 t -57.16 -46.07 83.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.113 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -67.61 -39.86 84.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.504 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 tp . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.48 -179.606 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -117.88 -87.77 0.62 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.117 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.4 mm -59.03 -44.86 92.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.264 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.672 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -48.88 165.79 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.566 179.679 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 t -158.36 155.15 28.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 10' ' ' VAL . 96.2 mt-10 -46.97 -35.24 6.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.14 -44.53 83.9 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -56.03 -53.8 52.58 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.409 ' HA ' HD13 ' A' ' 9' ' ' ILE . 47.5 mm -58.69 -44.54 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 6' ' ' GLU . 14.0 t -54.84 -48.29 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.742 -0.383 . . . . 0.0 109.99 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -53.51 -50.62 65.02 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -64.66 -42.77 95.17 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.384 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -55.12 -38.49 68.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.794 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -65.43 -48.17 73.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.013 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.81 74.3 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.092 0.473 . . . . 0.0 110.213 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -58.22 -47.88 82.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.313 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.21 -39.95 51.51 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mt -63.93 -41.2 97.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.861 0.363 . . . . 0.0 110.679 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.502 ' CZ ' ' CD1' ' B' ' 37' ' ' PHE . 16.7 m-85 -63.97 -42.59 97.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.209 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 24' ' ' ASP . 46.4 t0 -100.66 76.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.768 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -52.87 -28.38 22.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.052 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.603 ' O ' ' C ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -97.67 38.17 1.31 Allowed 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.593 -179.66 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.603 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 6.74 67.98 0.01 OUTLIER Glycine 0 CA--C 1.525 0.677 0 O-C-N 123.399 0.437 . . . . 0.0 112.198 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -95.21 -25.94 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.414 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 104.67 13.64 25.4 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.561 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 18.7 m -161.72 165.0 28.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 110.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -116.06 118.02 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.833 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.604 ' HA ' HG22 ' A' ' 62' ' ' THR . 8.6 m -97.42 151.96 19.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.5 t -49.99 -45.83 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.256 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -61.0 -54.73 41.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.01 -43.8 78.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.619 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.88 -37.05 80.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.421 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -41.5 91.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.198 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.3 m -58.54 -45.99 87.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.962 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.45 -44.53 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.349 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.486 ' CD1' HD11 ' A' ' 48' ' ' LEU . 92.4 mt -62.02 -42.47 95.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.198 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -59.89 -34.16 72.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.232 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -57.77 -27.25 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.817 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.3 mp -78.6 11.49 2.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 69.83 40.96 1.24 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.786 0.679 . . . . 0.0 110.789 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -165.01 128.63 2.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -126.7 84.07 63.67 Favored Pre-proline 0 C--N 1.333 -0.152 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.737 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -56.6 168.14 2.42 Favored 'Trans proline' 0 C--N 1.303 -1.826 0 C-N-CA 122.905 2.403 . . . . 0.0 111.87 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.458 HG23 ' H ' ' A' ' 47' ' ' GLU . 5.1 t -66.0 141.95 58.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.69 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.62 -39.27 61.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.351 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.496 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 2.2 tm-20 -48.69 -43.87 37.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.445 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.503 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.3 tm-20 -62.19 -33.28 74.24 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.206 0.527 . . . . 0.0 110.487 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 36' ' ' ILE . 4.1 mm? -78.84 -35.07 44.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.083 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -62.1 -48.19 81.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.86 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 54' ' ' GLU . 13.8 p-10 -67.05 -45.87 76.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.436 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.4 ttm -46.85 -54.75 9.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.709 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.53 -41.12 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.271 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.1 t -72.09 -18.91 61.88 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.715 0.634 . . . . 0.0 110.7 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 50' ' ' ASP . 82.2 tt0 -78.72 -8.35 58.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.127 0.489 . . . . 0.0 110.429 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 t -146.45 40.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 14.1 t0 -105.81 103.3 12.77 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.42 -8.2 53.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.258 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 48.7 p30 -127.2 10.27 6.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.737 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 42.43 47.99 5.73 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' C ' ' N ' ' A' ' 62' ' ' THR . 52.5 p-10 -106.53 15.41 25.9 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.652 0.263 . . . . 0.0 110.582 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 47.15 15.78 0.22 Allowed Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.604 HG22 ' HA ' ' A' ' 28' ' ' THR . 77.2 p -139.02 145.65 39.89 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.964 0.412 . . . . 0.0 110.864 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.2 mt -96.94 125.47 49.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 120.957 0.408 . . . . 0.0 110.278 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -82.78 162.73 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -51.27 -48.09 62.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.389 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.07 -38.4 86.08 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.167 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -70.6 -52.56 20.66 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -53.85 -42.92 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.518 ' O ' HD23 ' A' ' 69' ' ' LEU . 2.8 tt -57.56 -58.63 7.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.371 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.4 t -64.92 -43.65 92.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.676 ' C ' HD23 ' A' ' 71' ' ' LEU . 6.6 tt -52.52 -58.83 5.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.5 tpt -67.72 -45.04 76.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.809 0.338 . . . . 0.0 111.319 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.63 -25.8 63.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.882 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' VAL . 25.5 mmtp -94.53 -59.73 1.87 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.749 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -55.21 77.88 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.829 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.578 HG12 ' N ' ' A' ' 77' ' ' LYS . 59.3 t -134.22 162.45 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.578 ' N ' HG12 ' A' ' 76' ' ' VAL . 28.5 ttpt 158.62 -62.75 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.16 0 O-C-N 123.466 0.479 . . . . 0.0 110.52 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 71.78 -59.36 0.55 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.672 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 79' ' ' THR . 95.9 m 57.18 51.82 9.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.928 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -161.45 120.89 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.84 -52.34 9.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.043 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -58.7 -25.25 62.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.611 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -79.46 -53.04 7.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.308 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.52 -35.98 75.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.006 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 98.1 mt -73.66 -29.24 62.2 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.361 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -84.68 -50.99 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.361 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.8 pp20? -59.01 -40.69 85.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.912 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.45 ' N ' ' CD ' ' A' ' 87' ' ' GLU . . . -62.14 -55.31 30.06 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -58.7 -37.07 75.3 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.05 0.453 . . . . 0.0 110.144 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.464 ' NZ ' ' NE2' ' A' ' 96' ' ' GLN . 1.4 mmmp? -58.14 -37.99 75.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.6 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 87' ' ' GLU . 70.2 t -73.58 -49.68 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.234 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 3.0 m-30 -58.04 -47.15 83.97 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.909 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 96' ' ' GLN . 39.0 t0 -88.79 59.47 5.09 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -39.3 -59.72 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.061 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 53.8 p30 -64.06 -7.71 9.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.234 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 93' ' ' ASP . 76.3 mt-30 45.97 58.9 4.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.336 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.426 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 26.8 p-10 -100.16 -5.7 27.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.369 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.485 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.88 0.81 48.85 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 24.4 m-85 -145.34 149.87 35.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.878 0.37 . . . . 0.0 110.631 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 mt -95.79 115.25 34.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.04 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.6 t -81.86 145.68 30.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.448 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.35 -44.24 65.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.546 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.7 m -59.32 -46.4 88.7 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.95 -46.12 90.43 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.073 0.464 . . . . 0.0 110.304 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.507 HD23 HD11 ' A' ' 125' ' ' ILE . 54.3 tp -70.75 -23.98 62.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.315 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -63.57 -45.48 90.27 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.272 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.728 ' CE1' HD21 ' A' ' 111' ' ' ASN . 2.0 t60 -69.66 -58.11 4.33 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.825 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 108' ' ' VAL . 40.8 t -46.19 -16.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.317 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.47 ' N ' ' C ' ' A' ' 107' ' ' HIS . 6.9 tpt -91.45 -76.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.534 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.4 tt -51.26 -32.16 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.271 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.728 HD21 ' CE1' ' A' ' 107' ' ' HIS . 10.3 m120 -52.88 -14.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.668 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.457 HD22 ' CG2' ' B' ' 29' ' ' ILE . 69.9 mt -96.21 8.2 44.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.621 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.61 36.5 26.01 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -121.63 128.44 51.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.287 0.565 . . . . 0.0 110.62 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.542 ' C ' HD22 ' A' ' 116' ' ' LEU . 98.4 mttt -102.62 92.34 4.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.038 0.446 . . . . 0.0 110.254 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.542 HD22 ' C ' ' A' ' 115' ' ' LYS . 4.4 mm? -108.17 128.36 54.64 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.9 p -53.47 151.21 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.304 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 42.3 p-10 -59.12 -30.19 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.443 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.462 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.2 mt-10 -64.92 -47.74 76.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.456 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HG2' HD12 ' A' ' 116' ' ' LEU . 40.5 tp10 -62.08 -46.98 86.69 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.239 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.6 t -63.43 -45.43 97.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.082 0.468 . . . . 0.0 110.319 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -59.69 -36.68 76.97 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.395 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -61.94 -53.18 59.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.331 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.7 ttp -50.4 -40.22 49.29 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.545 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.507 HD11 HD23 ' A' ' 105' ' ' LEU . 30.8 mm -64.08 -45.85 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -76.74 -24.98 53.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -82.71 -57.36 3.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.774 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.441 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -46.35 -44.25 16.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.299 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 20.6 t0 -88.91 120.02 29.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.254 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 130' ' ' LEU . 10.5 mp -57.96 -43.68 86.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.435 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 1.1 p-10 -80.65 -14.67 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.718 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.563 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 65.37 -101.99 0.62 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.46 ' OD2' ' O ' ' A' ' 132' ' ' GLY . 0.0 OUTLIER 69.78 -23.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.776 0.322 . . . . 0.0 110.612 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 104.93 11.74 29.44 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -147.65 153.11 38.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.889 0.376 . . . . 0.0 110.545 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.5 t -113.88 121.04 65.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.103 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.805 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -84.84 155.82 21.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -50.73 -44.58 58.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.135 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.73 -39.42 94.26 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.238 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.431 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 94.8 mt-10 -67.08 -37.28 83.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.121 0.486 . . . . 0.0 110.489 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.591 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 53.2 t80 -70.21 -47.63 60.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.4 t -55.66 -56.04 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.034 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 144' ' ' MET . 36.7 pttt -60.8 -37.58 82.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.069 0.461 . . . . 0.0 110.545 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 144' ' ' MET . 1.8 tmt? -71.18 -35.07 71.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.289 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.591 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 4.7 tpt -67.98 -27.4 66.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.896 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.446 ' O ' ' O ' ' A' ' 145' ' ' MET . 17.6 mmt -44.01 170.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.643 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 32.4 m -64.87 77.9 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.602 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 146' ' ' MET . 72.3 t -60.26 -42.24 89.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.495 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.642 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.557 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -60.4 -43.59 96.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -67.49 -38.5 84.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.346 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -61.04 -44.98 96.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.441 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 2.0 m95 -62.73 -47.64 82.69 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -65.94 -35.17 79.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.951 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 38.3 t -60.97 -44.41 97.38 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.033 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.657 ' O ' HG23 ' B' ' 30' ' ' VAL . 89.6 p -61.97 -43.68 98.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.324 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.1 t -68.41 -43.66 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.618 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.0 t -66.96 -46.5 74.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.756 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.457 ' CG2' HD22 ' A' ' 112' ' ' LEU . 78.3 mt -61.98 -41.65 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.159 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 26' ' ' SER . 25.5 t -58.76 -40.88 80.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.716 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -60.69 -46.13 91.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.909 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.34 -38.57 78.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.332 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' B' ' 34' ' ' ALA . 72.0 ttt180 -70.38 -46.85 63.23 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 33.37 81.29 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -67.35 -16.07 64.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.908 0.385 . . . . 0.0 110.304 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.453 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 80.0 mtt85 -112.06 -0.47 15.65 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.639 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.502 ' CD1' ' CZ ' ' A' ' 19' ' ' PHE . 1.3 m-85 64.88 45.6 3.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.742 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' B' ' 37' ' ' PHE . 17.9 ptm180 -37.24 -34.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.879 0.371 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.433 ' SD ' ' C ' ' B' ' 39' ' ' MET . 0.0 OUTLIER -69.11 -72.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.018 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.65 -29.63 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.264 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -61.72 -45.75 92.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.092 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -65.52 -41.05 93.56 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.43 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.422 -179.604 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 3' ' ' ILE . 92.9 m-20 -81.48 94.0 6.76 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.779 HG23 ' N ' ' A' ' 4' ' ' LEU . 1.3 tt 15.58 -119.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 124.035 0.835 . . . . 0.0 111.029 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.779 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.8 OUTLIER 175.04 86.71 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 123.333 0.395 . . . . 0.0 110.369 179.146 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m -111.24 160.35 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.266 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -65.6 -22.13 66.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.425 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -53.17 -30.91 39.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.288 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -75.49 -48.74 21.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.041 0.448 . . . . 0.0 110.068 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.7 mm -63.67 -38.55 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.153 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.1 t -61.89 -48.87 86.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.397 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -53.6 -49.58 67.49 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.05 0.453 . . . . 0.0 110.038 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -64.23 -36.97 85.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.044 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -60.98 -38.26 85.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.248 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -63.98 -48.83 74.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.126 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.53 85.34 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.621 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.53 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 61.5 t80 -52.39 -48.54 65.58 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.05 -31.5 61.71 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -50.27 74.23 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.394 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.23 -33.35 73.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.29 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.53 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 37.2 m-20 -93.0 83.54 4.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -58.18 -43.07 87.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.129 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.561 ' O ' ' C ' ' A' ' 23' ' ' GLY . 51.7 p-10 -92.27 36.08 1.0 Allowed 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 8.27 63.73 0.01 OUTLIER Glycine 0 N--CA 1.473 1.134 0 O-C-N 124.152 0.908 . . . . 0.0 111.461 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 16.1 p-10 -86.75 -26.52 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.503 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.55 10.46 23.35 Favored Glycine 0 N--CA 1.466 0.655 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.48 ' SG ' ' OD2' ' A' ' 24' ' ' ASP . 20.8 p -167.99 126.67 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.76 0.314 . . . . 0.0 111.01 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 84.5 mt -76.2 130.17 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.01 -170.8 2.04 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 t -81.85 -44.86 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.512 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.68 -44.76 96.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.54 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -62.44 -45.56 92.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.429 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.0 tp -59.6 -40.51 87.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.105 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.29 -39.95 78.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 m -60.82 -48.7 80.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.51 -46.93 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.518 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.93 -43.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -59.13 -34.52 72.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.468 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.5 p -93.59 11.55 28.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.482 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -103.31 14.92 30.46 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.103 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 39' ' ' LEU . 1.9 m-20 78.69 20.66 0.8 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.443 0.465 . . . . 0.0 110.674 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -145.05 153.18 41.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.233 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.17 79.42 11.75 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.49 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -79.63 160.99 25.02 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.86 2.373 . . . . 0.0 112.231 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 m -62.66 136.39 57.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.34 -49.69 74.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.55 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.581 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 1.3 mp0 -43.5 -44.17 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 6.8 mp0 -61.63 -51.1 69.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.846 0.355 . . . . 0.0 110.063 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.3 mt -52.5 -53.54 44.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.37 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -53.41 -45.76 69.5 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.29 -40.35 95.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.482 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 27.6 ttp -63.28 -40.07 96.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.478 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.759 ' CD1' HD11 ' A' ' 63' ' ' ILE . 31.5 mm -64.6 -45.22 96.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.598 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -79.0 -12.36 60.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -59.15 -44.72 92.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.805 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.7 t -106.77 -46.02 8.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.746 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -48.52 97.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.672 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.583 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -47.0 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.705 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.536 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.1 p30 -60.35 5.54 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.583 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 17.12 59.88 0.01 OUTLIER Glycine 0 C--N 1.346 1.118 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.764 ' ND2' ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -78.02 -10.81 59.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.648 -0.276 . . . . 0.0 110.476 -178.754 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.668 ' N ' HD22 ' A' ' 60' ' ' ASN . . . 101.43 3.65 53.33 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.764 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 12.7 p -140.66 148.97 41.65 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.91 0.386 . . . . 0.0 110.393 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.759 HD11 ' CD1' ' A' ' 52' ' ' ILE . 65.4 mt -101.47 122.31 53.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.51 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -83.97 161.42 20.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.203 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -52.44 -46.27 66.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.384 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.78 -38.86 83.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.171 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.12 -47.23 52.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.611 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -59.66 -45.98 90.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.258 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.25 -48.03 79.91 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.924 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -63.81 -44.97 91.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.64 -48.14 82.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.576 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.6 tpt -65.35 -42.01 93.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.2 85.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.132 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.29 -61.02 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.35 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -118.15 117.81 30.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.044 HG13 ' H ' ' A' ' 77' ' ' LYS . 2.5 p -113.42 -91.35 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.619 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 1.044 ' H ' HG13 ' A' ' 76' ' ' VAL . 65.0 pttt -52.56 179.89 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.172 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -133.63 15.8 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.638 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 75.1 78.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 0.0 110.705 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -160.98 118.65 2.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.18 0.514 . . . . 0.0 110.506 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.5 13.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.995 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -54.04 -18.87 4.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.098 0.475 . . . . 0.0 110.701 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -81.48 -57.77 3.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -68.29 -35.17 77.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.495 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 mt -69.18 -39.72 78.55 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -84.94 -45.06 12.57 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.481 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.05 -41.21 91.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.85 -54.74 37.99 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.553 ' CZ ' ' OD1' ' A' ' 93' ' ' ASP . 59.3 t80 -57.14 -33.48 67.43 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.287 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -61.7 -39.12 90.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.562 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.8 t -73.48 -43.81 54.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.689 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.502 ' CE1' HG11 ' A' ' 108' ' ' VAL . 43.3 m-85 -59.22 -46.72 87.72 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.113 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.553 ' OD1' ' CZ ' ' A' ' 89' ' ' PHE . 5.4 m-20 -93.24 58.41 2.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.034 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -41.31 -58.44 1.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.285 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.455 ' HB2' HD21 ' A' ' 97' ' ' ASN . 6.9 p30 -70.13 -2.98 14.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.103 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' ASP . 97.0 mt-30 55.9 67.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.013 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.455 HD21 ' HB2' ' A' ' 95' ' ' ASP . 2.6 m120 -102.6 -16.68 16.0 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.654 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 98.01 -2.92 60.09 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.472 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 24.3 m-85 -141.75 146.07 35.56 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mt -91.0 113.75 27.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.284 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 t -90.38 139.36 30.74 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.08 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.469 ' CB ' ' OE2' ' A' ' 122' ' ' GLU . . . -41.61 -41.12 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.1 m -59.34 -46.18 89.32 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.753 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.31 -43.01 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.76 -27.75 64.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.131 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 102' ' ' ALA . 67.3 ttt180 -62.4 -45.84 91.3 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.57 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 109' ' ' MET . 40.1 m80 -69.39 -58.84 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.977 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.502 HG11 ' CE1' ' A' ' 92' ' ' PHE . 75.3 t -45.13 -18.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.58 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 107' ' ' HIS . 4.0 tpt -90.29 -76.95 0.41 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.201 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.5 tt -48.31 -37.06 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.741 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.477 ' N ' HG23 ' A' ' 110' ' ' ILE . 72.5 m-20 -66.54 -26.98 67.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.995 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' A' ' 113' ' ' GLY . 10.8 mp -102.92 76.71 1.5 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.049 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 22.98 55.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 123.784 0.677 . . . . 0.0 111.807 179.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -170.87 101.78 0.23 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.4 ' C ' HD12 ' A' ' 116' ' ' LEU . 66.0 tttm -103.63 112.48 25.43 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.199 0.523 . . . . 0.0 111.21 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 115' ' ' LYS . 9.8 mp -109.8 132.12 54.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.286 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.434 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 32.6 p -54.2 165.56 0.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.995 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 33.9 p-10 -59.91 -37.19 78.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.4 mt-10 -64.29 -44.29 92.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.588 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -62.92 -43.66 98.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.381 -179.736 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.92 -48.58 87.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.076 0.465 . . . . 0.0 110.435 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.469 ' OE2' ' CB ' ' A' ' 102' ' ' ALA . 80.3 mm-40 -67.69 -34.9 77.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.252 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -64.0 -52.91 57.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.609 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.0 ttp -54.53 -46.9 73.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.405 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.0 mt -62.25 -46.56 96.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.437 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -58.39 -41.57 85.13 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.54 -46.72 58.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.606 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.36 98.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.299 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.555 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 60.2 t0 -68.13 112.75 5.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.273 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 130' ' ' LEU . 9.4 mp -68.52 -37.11 79.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 132' ' ' GLY . 1.8 p-10 -90.59 -3.35 57.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.012 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 53.54 118.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.555 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 52.3 p30 -172.44 18.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.58 -0.365 . . . . 0.0 110.598 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.48 19.3 62.21 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -152.17 160.94 43.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.544 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.5 t -127.78 126.62 67.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.999 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -90.14 160.31 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.459 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -52.87 -39.47 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.364 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -61.73 -55.37 31.02 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.812 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.438 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 82.2 mt-10 -58.1 -38.32 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.914 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -61.24 -48.07 83.15 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.414 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 34.1 t -58.37 -49.98 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.438 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -64.81 -35.64 81.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.816 0.341 . . . . 0.0 111.296 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.647 ' O ' HG22 ' A' ' 148' ' ' VAL . 1.8 tmt? -66.55 -28.27 68.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.012 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.4 ttm -91.91 -19.25 22.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.5 mmm -69.39 -123.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.943 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.488 ' C ' HG23 ' A' ' 148' ' ' VAL . 17.5 m -66.67 -46.49 75.5 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.729 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 144' ' ' MET . 2.6 t 71.58 -126.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.144 0 O-C-N 123.331 0.394 . . . . 0.0 110.397 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.459 ' HE ' HG22 ' A' ' 147' ' ' THR . 81.8 mtm180 . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.492 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -64.29 -37.29 86.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.431 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -66.91 -40.97 87.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.468 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -64.29 -39.77 94.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.201 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.44 -48.23 80.59 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -65.61 -35.98 82.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.779 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.1 t -59.9 -44.67 94.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.148 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.777 ' O ' HG23 ' B' ' 30' ' ' VAL . 20.1 m -60.6 -44.51 96.17 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.228 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.34 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.156 0.503 . . . . 0.0 110.353 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -63.52 -50.26 70.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.257 0.551 . . . . 0.0 111.088 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 64.1 mt -64.88 -25.45 37.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.114 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.777 HG23 ' O ' ' B' ' 26' ' ' SER . 25.1 t -68.09 -43.92 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' B' ' 32' ' ' ASN . 28.1 pttt -60.43 -41.62 94.36 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.421 -0.512 . . . . 0.0 109.922 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.455 ' N ' ' HG2' ' B' ' 31' ' ' LYS . 26.0 t-20 -68.25 -37.51 80.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.857 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.575 HH21 ' NH2' ' B' ' 35' ' ' ARG . 52.5 ttt180 -79.65 -3.84 49.02 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.851 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.531 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . -22.77 97.84 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.947 0.403 . . . . 0.0 111.23 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.575 ' NH2' HH21 ' B' ' 33' ' ' ARG . 38.6 ttm180 -83.3 -10.73 58.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.201 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.422 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 6.8 mmp_? -96.41 -1.47 47.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.755 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' B' ' 39' ' ' MET . 0.6 OUTLIER 60.87 43.14 12.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.412 179.513 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -40.94 -27.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.75 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.468 ' SD ' ' C ' ' B' ' 39' ' ' MET . 0.9 OUTLIER -71.16 -70.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.495 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.37 -43.03 98.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.423 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.9 p -53.99 -47.92 70.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.085 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.455 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 59.2 t30 -78.68 -39.82 35.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.683 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.455 ' OXT' ' O ' ' B' ' 42' ' ' ASN . 6.3 tt . . . . . 0 C--O 1.222 -0.363 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.8 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 54.25 49.32 18.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.733 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 tt -120.63 23.86 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.302 0.572 . . . . 0.0 110.707 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.5 mt -124.13 98.92 5.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 t -151.36 145.85 25.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.642 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 10' ' ' VAL . 93.9 mt-10 -54.35 -22.83 13.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.588 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.74 -27.97 65.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.031 0.443 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -78.27 -53.88 6.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.055 0.455 . . . . 0.0 110.02 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 mm -61.88 -40.03 85.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.657 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 6' ' ' GLU . 25.3 t -58.34 -49.44 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.124 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -54.72 -53.79 50.34 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.613 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -63.23 -42.01 99.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.537 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -59.08 -39.9 83.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.299 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -56.23 -51.49 67.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.3 -47.48 75.52 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.315 0.578 . . . . 0.0 110.205 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -60.38 -46.87 88.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.331 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.13 -39.88 58.48 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.89 -46.12 89.32 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.296 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.7 -40.15 96.24 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.549 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -84.88 71.28 10.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.078 0.466 . . . . 0.0 110.644 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -58.92 -41.23 86.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.524 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' C ' ' A' ' 23' ' ' GLY . 50.3 p-10 -91.89 33.79 1.03 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.65 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 17.74 57.53 0.01 OUTLIER Glycine 0 C--N 1.349 1.254 0 O-C-N 123.768 0.667 . . . . 0.0 112.083 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.0 p-10 -86.93 -25.76 24.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.274 0.559 . . . . 0.0 110.818 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 113.2 -26.54 10.31 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.427 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 12.8 m -128.83 175.84 8.31 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 117.283 0.542 . . . . 0.0 110.163 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -119.84 126.48 75.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 m -102.69 152.75 20.85 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.918 0.39 . . . . 0.0 110.913 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.0 t -47.49 -43.99 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.046 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.93 -51.11 70.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.495 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.91 -43.74 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.02 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.654 HD22 HD11 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -61.53 -40.32 94.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.036 179.379 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.98 90.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.735 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 m -60.99 -51.65 68.36 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.956 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -62.26 -46.8 95.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.437 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.654 HD11 HD22 ' A' ' 32' ' ' LEU . 70.9 mt -61.64 -43.03 96.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.465 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -55.88 -38.19 69.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.113 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -91.64 22.02 4.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -127.46 3.19 6.24 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.673 0.273 . . . . 0.0 110.749 179.581 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' CG ' ' H ' ' A' ' 41' ' ' GLN . 0.6 OUTLIER 179.28 -80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.287 -179.813 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.419 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 56.4 tt0 -154.88 -88.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.764 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 43' ' ' PRO . 20.0 t30 179.44 87.75 0.18 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.503 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.485 ' O ' ' O ' ' A' ' 42' ' ' ASN . 51.0 Cg_exo -52.92 -151.61 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.732 2.288 . . . . 0.0 111.851 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.495 HG22 ' H ' ' A' ' 46' ' ' GLU . 49.4 m -109.08 137.31 47.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.045 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.645 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 1.3 pm0 -59.4 -40.62 87.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.576 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' H ' HG22 ' A' ' 44' ' ' THR . 80.7 tt0 -60.14 -40.36 89.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.412 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.72 -32.75 74.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.501 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.56 -55.63 5.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.71 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -53.3 -37.98 62.74 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' GLU . 27.3 t70 -65.21 -47.1 78.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.3 ttm -58.59 -46.01 87.87 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.945 0.402 . . . . 0.0 110.605 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.723 HD12 HD11 ' A' ' 63' ' ' ILE . 47.2 mm -64.9 -40.24 88.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.8 p -79.16 -22.73 44.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.607 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' ASP . 45.0 tp10 -57.15 -44.59 83.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.88 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' A' ' 57' ' ' ALA . 95.6 t -104.8 -57.17 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.277 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -43.08 89.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.753 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -46.74 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.325 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.522 ' O ' ' C ' ' A' ' 59' ' ' GLY . 5.6 p30 -59.9 1.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.066 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 16.86 60.99 0.01 OUTLIER Glycine 0 C--N 1.347 1.175 0 O-C-N 123.999 0.812 . . . . 0.0 111.276 179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.778 ' ND2' ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -75.91 -10.67 59.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.409 . . . . 0.0 110.678 -179.11 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.682 ' N ' HD22 ' A' ' 60' ' ' ASN . . . 103.06 1.89 48.52 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.778 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 58.7 p -139.71 148.31 42.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.723 HD11 HD12 ' A' ' 52' ' ' ILE . 33.5 mt -100.29 124.24 53.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.945 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -84.75 161.01 20.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.175 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -50.93 -48.29 60.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.093 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -60.62 -39.01 86.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.49 -52.35 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.092 0.472 . . . . 0.0 110.542 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -55.28 -40.02 70.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.563 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -60.1 -60.61 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.605 -179.592 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.8 m -52.32 -39.58 60.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.292 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -59.69 -56.79 17.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.538 -178.745 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.1 mmt -67.11 -41.68 85.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.061 0.458 . . . . 0.0 111.059 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.52 80.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.343 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -75.18 -57.31 3.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -79.01 122.19 25.87 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.615 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 76' ' ' VAL . 47.7 t -153.16 77.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.45 178.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 76' ' ' VAL . 33.5 ttmt -27.65 87.76 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.506 0.504 . . . . 0.0 111.39 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 76' ' ' VAL . 34.5 t70 -117.67 15.89 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.057 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.9 p -114.93 59.23 0.7 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.029 0.442 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.614 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 1.4 p-10 -165.64 89.48 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.94 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.32 -58.41 8.11 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.77 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 85' ' ' LEU . 84.2 tt0 -75.1 -66.66 0.73 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.381 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' GLU . 1.9 tm-20 -35.44 -47.43 0.44 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.337 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -67.63 -47.2 70.29 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.333 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' GLU . 46.4 mt -66.72 -14.63 62.77 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.61 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.01 -48.76 11.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.734 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.551 ' CD ' HH21 ' B' ' 38' ' ' ARG . 81.4 tt0 -65.85 -43.1 89.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.58 -0.448 . . . . 0.0 109.916 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.467 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -57.36 -49.57 75.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.611 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.9 -42.27 93.45 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.828 0.347 . . . . 0.0 110.284 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -57.03 -34.31 68.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.262 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.45 -59.11 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.042 0.448 . . . . 0.0 110.614 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.467 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 4.5 m-85 -54.7 -44.26 73.26 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.415 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 96' ' ' GLN . 45.6 t0 -87.15 64.09 8.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.497 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -40.71 -56.56 2.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 111.499 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.451 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 3.1 m-20 -63.76 -9.98 17.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.119 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 93' ' ' ASP . 24.9 pt20 42.95 27.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.799 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.75 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -72.96 2.21 7.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.674 -179.238 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.535 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 97.05 -0.13 60.3 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.75 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 3.8 m-85 -138.13 143.45 40.35 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.772 0.32 . . . . 0.0 110.253 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mt -96.22 112.79 29.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -79.21 153.1 30.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.404 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.99 90.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.3 m -59.66 -41.3 90.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.029 0.442 . . . . 0.0 110.775 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.451 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 50.2 mt-10 -64.38 -58.78 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.869 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.564 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 47.7 tp -61.09 -23.71 65.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.226 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -77.25 -49.7 14.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -53.78 -51.94 61.81 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.989 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' A' ' 111' ' ' ASN . 47.5 t -59.09 -64.29 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.939 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 108' ' ' VAL . 6.0 tpt -30.2 -68.98 0.07 Allowed 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.383 0.427 . . . . 0.0 110.731 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 18.8 tt -57.07 -34.81 45.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.017 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 108' ' ' VAL . 0.7 OUTLIER -52.66 -13.26 0.37 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.661 0.267 . . . . 0.0 110.737 -179.664 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.597 HD13 HH11 ' B' ' 33' ' ' ARG . 3.9 mm? -92.69 -104.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -154.72 68.96 0.29 Allowed Glycine 0 C--N 1.322 -0.234 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.525 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 82.9 tt0 -169.11 127.06 0.98 Allowed 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.523 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.63 119.96 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.035 0.445 . . . . 0.0 110.314 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 116' ' ' LEU . 4.3 mm? -101.96 166.47 10.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.447 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 121' ' ' VAL . 19.3 p -136.5 177.42 7.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.322 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 32.3 p-10 -71.85 -33.97 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.654 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.418 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 80.7 mm-40 -73.85 -57.02 4.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.456 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 43.3 tp10 -51.08 -44.86 61.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.391 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 117' ' ' THR . 62.1 t -63.38 -46.16 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.165 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -66.58 -32.4 73.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -61.33 -64.45 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.603 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 1.2 ttp -55.03 -41.7 71.71 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.527 -178.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.8 mm -62.18 -42.0 93.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.717 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -75.16 -29.7 60.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -84.42 -66.05 0.94 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.046 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.465 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -41.59 -32.69 0.38 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 110.295 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.442 ' OD2' ' OD1' ' A' ' 133' ' ' ASP . 63.7 t0 -89.39 114.32 25.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.365 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.82 -45.0 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.307 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 12.5 p30 -86.05 -1.83 57.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.462 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.2 42.26 3.12 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.442 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 27.6 p-10 -71.53 -1.1 12.22 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.549 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.73 -10.4 45.21 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -144.28 168.38 20.21 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.635 0.255 . . . . 0.0 110.408 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.8 t -115.3 126.23 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.702 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -92.14 149.69 21.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.355 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -43.83 -42.15 5.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.193 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.83 -50.14 74.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.435 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 95.6 mt-10 -61.78 -43.1 99.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.194 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -59.26 -49.79 76.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.089 0.471 . . . . 0.0 109.999 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 20.0 t -57.6 -47.2 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.837 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -60.65 -31.78 70.98 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.815 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.481 ' SD ' ' O ' ' A' ' 144' ' ' MET . 1.6 tmm? -67.0 -38.15 85.49 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.925 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 tpp -84.66 -17.22 39.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.377 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.467 ' C ' ' OG1' ' A' ' 147' ' ' THR . 2.7 mmt -51.43 -30.13 18.41 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.208 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.497 ' C ' ' H ' ' A' ' 149' ' ' ARG . 0.0 OUTLIER 169.4 -75.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.43 0.634 . . . . 0.0 110.363 179.509 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.678 ' O ' HG12 ' A' ' 148' ' ' VAL . 96.1 t 51.1 8.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.521 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.497 ' H ' ' C ' ' A' ' 147' ' ' THR . 17.6 ptm180 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.672 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 ttp85 -60.43 -42.54 96.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.524 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.91 -40.01 95.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.431 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.525 ' NH1' ' OE2' ' A' ' 114' ' ' GLU . 14.3 tpp180 -58.86 -45.08 90.98 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.169 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.603 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 11.5 m95 -62.83 -47.39 83.61 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.208 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -65.42 -36.59 84.4 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.8 t -60.32 -48.06 83.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.573 ' O ' HG23 ' B' ' 30' ' ' VAL . 94.8 p -60.77 -43.14 98.43 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.094 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.19 -43.49 84.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.786 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.2 p -66.64 -41.99 87.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.338 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.449 ' CG2' HD12 ' A' ' 112' ' ' LEU . 68.3 mt -63.13 -41.02 91.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 26' ' ' SER . 38.9 t -59.39 -44.35 92.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.09 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -64.33 -43.84 93.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.465 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -68.28 -41.46 80.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.588 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.597 HH11 HD13 ' A' ' 112' ' ' LEU . 70.1 ttt180 -74.72 -44.74 48.41 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.002 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.524 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 63.0 -66.1 0.09 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.252 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.576 ' NH2' ' CZ ' ' B' ' 33' ' ' ARG . 42.6 ttm-85 70.21 -38.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 123.413 0.446 . . . . 0.0 110.306 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.524 ' H ' ' C ' ' B' ' 34' ' ' ALA . 33.9 ttm180 -106.14 -0.72 24.44 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.607 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.484 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.7 OUTLIER 65.68 62.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.055 0.455 . . . . 0.0 109.845 179.325 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.551 HH21 ' CD ' ' A' ' 87' ' ' GLU . 2.4 mtp85 -56.17 -33.62 65.41 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.163 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' B' ' 39' ' ' MET . 1.8 mpt? -69.48 -63.14 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.77 -42.21 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.093 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 44.2 t -56.34 -43.25 78.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.298 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.468 ' O ' ' C ' ' B' ' 43' ' ' LEU . 67.4 m-20 -94.32 -3.27 50.78 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.947 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.543 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.007 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 4' ' ' LEU . 56.2 t0 -148.41 -83.35 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 53.0 mt 43.07 -87.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.238 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.563 ' N ' ' O ' ' A' ' 2' ' ' ASP . 79.1 mt -87.04 175.24 8.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.382 179.883 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 m -70.66 149.13 47.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.376 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 10' ' ' VAL . 54.7 mp0 -54.32 -32.68 57.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.589 -179.692 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.546 ' CD ' ' H ' ' A' ' 7' ' ' GLU . 1.3 mp0 -57.02 -35.92 69.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.867 0.365 . . . . 0.0 110.348 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.09 -53.9 13.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.172 0.511 . . . . 0.0 110.411 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.68 -39.07 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.138 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 6' ' ' GLU . 25.5 t -59.17 -48.67 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.322 -179.595 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.465 ' OD1' ' O ' ' A' ' 7' ' ' GLU . 1.3 m-20 -54.76 -52.76 61.56 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 120.446 -0.502 . . . . 0.0 109.984 -179.308 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -62.61 -40.65 97.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.033 179.311 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -60.72 -42.69 97.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.477 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -55.88 -52.73 63.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.23 -179.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.17 75.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.996 0.426 . . . . 0.0 110.44 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.523 ' CE1' ' OD2' ' A' ' 20' ' ' ASP . 3.1 t80 -60.07 -47.28 86.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.233 179.415 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.97 -37.43 58.11 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.094 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.14 -43.36 92.14 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.802 179.596 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.42 -35.65 76.3 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.807 -179.312 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.523 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 96.9 m-20 -93.38 82.88 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.562 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' NZ ' HG22 ' A' ' 35' ' ' VAL . 14.7 mptt -56.18 -42.08 76.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.926 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 23' ' ' GLY . 53.4 p-10 -91.71 38.73 0.99 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 -179.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 7.54 65.92 0.01 OUTLIER Glycine 0 C--N 1.344 0.987 0 O-C-N 123.927 0.767 . . . . 0.0 111.705 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 50.5 p-10 -91.98 -24.67 19.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.741 0.305 . . . . 0.0 110.489 -179.146 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 115.52 -26.98 8.68 Favored Glycine 0 N--CA 1.466 0.678 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.4 p -125.07 174.49 8.0 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 117.096 0.448 . . . . 0.0 109.915 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.3 mt -114.52 118.62 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.957 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -90.23 -173.66 3.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.422 ' H ' HG22 ' A' ' 28' ' ' THR . 43.6 t -83.85 -43.54 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.62 179.603 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -64.69 -40.03 94.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.591 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' OE1' ' OD1' ' A' ' 22' ' ' ASP . 39.0 mt-10 -68.68 -49.98 54.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.356 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' O ' HD23 ' A' ' 32' ' ' LEU . 5.8 tt -60.32 -40.09 89.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.027 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.74 98.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.259 179.345 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.5 m -57.67 -46.47 84.22 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.416 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.417 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 97.5 t -59.8 -45.62 94.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 40' ' ' ASP . 79.1 mt -63.43 -43.34 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 178.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -51.77 -46.0 63.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.67 -178.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.9 t -75.36 -39.93 58.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.217 0.532 . . . . 0.0 110.61 179.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -4.28 40.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.81 -178.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' ILE . 21.0 m-20 -150.17 -124.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.392 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -127.01 -108.31 0.31 Allowed 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.637 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -144.53 77.34 13.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.711 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.56 165.44 27.14 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.92 2.413 . . . . 0.0 111.794 179.605 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 m -78.0 133.44 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 48' ' ' LEU . 72.6 tt0 -53.35 -46.36 69.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.573 179.701 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -40.89 -42.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 0.0 110.619 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.06 -33.89 76.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.325 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' GLU . 9.3 mp -74.6 -45.0 48.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 179.501 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -31.34 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.91 -54.05 15.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.1 ttp -57.05 -44.73 83.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.606 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.6 mt -67.82 -38.62 80.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.397 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 t -66.27 -38.4 87.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -51.62 -39.49 58.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.576 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ALA . 97.4 t -99.52 -53.28 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.774 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 42.6 t0 -47.33 94.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.334 -179.666 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.56 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -44.97 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.983 -179.667 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 59' ' ' GLY . 21.3 p-10 -61.8 6.7 0.06 Allowed 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.56 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 17.18 60.34 0.01 OUTLIER Glycine 0 C--N 1.346 1.126 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 179.516 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 9.4 p-10 -89.86 -21.84 22.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.746 0.308 . . . . 0.0 110.632 -179.037 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.33 7.86 39.41 Favored Glycine 0 N--CA 1.463 0.438 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.551 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 15.9 p -133.41 123.69 25.8 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.492 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.0 mt -97.77 124.12 50.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -89.55 170.72 10.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.334 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -55.07 -43.73 74.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.336 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.29 -42.54 95.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -72.03 -43.6 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.652 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.55 -44.51 93.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.087 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.7 tt -63.12 -45.81 90.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.066 0.46 . . . . 0.0 110.267 -179.677 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.9 m -59.59 -44.23 93.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.47 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mt -59.83 -47.98 83.52 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.598 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.514 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -69.5 -40.91 76.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.951 0.405 . . . . 0.0 110.952 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.44 -36.33 77.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.6 -179.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -62.21 1.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.669 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.56 ' O ' ' C ' ' A' ' 76' ' ' VAL . 43.3 tptt -45.84 -81.57 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.289 -179.09 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.589 ' O ' ' CB ' ' A' ' 77' ' ' LYS . 95.2 t -9.46 123.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.953 0 O-C-N 124.539 1.15 . . . . 0.0 110.81 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.589 ' CB ' ' O ' ' A' ' 76' ' ' VAL . 45.4 tttp 98.17 106.63 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.674 1.234 . . . . 0.0 110.825 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 27.2 t0 90.9 13.03 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.084 0.865 . . . . 0.0 111.066 178.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.508 ' OG1' ' NH2' ' B' ' 38' ' ' ARG . 22.6 p -66.04 48.04 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.751 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 78' ' ' ASP . 90.4 m-20 61.79 144.63 0.02 OUTLIER 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.557 0.536 . . . . 0.0 111.221 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.11 -54.6 6.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.906 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -53.79 -17.03 2.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.552 -179.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -89.28 -50.75 5.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.728 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.459 ' OE2' ' OG1' ' A' ' 79' ' ' THR . 90.1 mt-10 -67.73 -35.69 79.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.986 0.422 . . . . 0.0 110.13 179.669 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.538 HD21 HG22 ' A' ' 142' ' ' VAL . 1.1 tp -76.19 -35.9 58.89 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.548 -179.061 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -84.66 -45.22 12.7 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.869 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -62.78 -46.93 85.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.201 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.44 -52.03 67.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.891 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.31 -41.09 83.71 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.211 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -55.69 -35.89 66.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 -179.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.5 t -73.34 -57.73 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 3.7 m-85 -56.64 -47.56 79.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.021 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.616 ' O ' ' N ' ' A' ' 96' ' ' GLN . 40.0 t0 -86.64 56.54 4.05 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.556 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -38.53 -51.83 1.6 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.832 0.349 . . . . 0.0 110.871 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.455 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.1 m-20 -64.46 -19.68 65.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.553 -179.321 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.616 ' N ' ' O ' ' A' ' 93' ' ' ASP . 88.7 mt-30 60.43 11.13 2.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.448 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.432 ' O ' ' CE2' ' A' ' 99' ' ' TYR . 28.5 p-10 -59.85 -0.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 96' ' ' GLN . . . 89.54 4.7 73.01 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.432 ' CE2' ' O ' ' A' ' 97' ' ' ASN . 5.3 m-85 -136.57 141.88 43.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.633 0.254 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.2 mt -97.64 114.19 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.961 0.41 . . . . 0.0 109.926 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.5 t -82.77 149.32 27.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.708 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.06 -42.74 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 72.3 p -60.0 -40.95 90.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.589 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.455 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 90.7 mt-10 -64.51 -57.95 7.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.274 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.412 HD22 ' CZ2' ' B' ' 23' ' ' TRP . 54.9 tp -60.06 -22.41 62.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.485 ' O ' HG22 ' A' ' 110' ' ' ILE . 73.1 ttt-85 -82.6 -41.48 19.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.968 179.654 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -57.31 -53.09 62.02 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.966 -179.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 112' ' ' LEU . 11.2 t -60.67 -64.97 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.979 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 108' ' ' VAL . 1.5 mmt -32.13 -76.87 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.492 0.495 . . . . 0.0 110.976 -179.486 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.618 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.9 tt -49.31 -47.49 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.722 -179.105 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.618 ' N ' HG23 ' A' ' 110' ' ' ILE . 48.5 t30 -66.42 -8.89 28.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 -179.692 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 108' ' ' VAL . 9.5 tp -89.2 14.56 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.955 -179.395 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.76 67.44 1.57 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -171.66 138.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.321 . . . . 0.0 110.297 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 98.61 8.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.34 . . . . 0.0 110.592 -179.733 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.1 mt -109.4 130.05 55.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.494 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.4 p -70.73 169.74 13.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.251 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 17.2 p-10 -64.09 -31.97 73.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.502 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.44 -49.54 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.476 ' OE2' ' NH2' ' B' ' 22' ' ' ARG . 26.8 tp10 -57.91 -44.09 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.262 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.6 t -65.59 -43.71 93.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.389 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -59.49 -26.31 65.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.308 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.416 ' O ' ' OE1' ' A' ' 127' ' ' GLU . 71.3 mt-30 -76.82 -65.05 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.495 179.231 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.0 ttt -39.73 -51.65 2.33 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.915 0.388 . . . . 0.0 111.009 -179.247 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.571 HG23 ' N ' ' A' ' 126' ' ' LYS . 9.7 tp -63.25 -44.97 99.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.61 -179.751 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.571 ' N ' HG23 ' A' ' 125' ' ' ILE . 64.2 tttp -65.91 -32.36 73.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.766 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 123' ' ' GLN . 2.1 mp0 -74.46 -55.86 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.356 -179.221 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.557 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -52.12 -30.18 25.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.393 -179.122 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 22.0 t0 -83.75 100.61 11.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.862 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.8 mt -73.66 -38.51 64.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.425 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 20.0 p-10 -92.05 1.9 56.91 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 -179.356 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 54.4 112.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.454 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 10.8 m-20 -158.56 10.88 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.784 0.325 . . . . 0.0 110.548 179.813 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.49 0.6 12.23 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -148.82 160.67 43.01 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.875 0.369 . . . . 0.0 110.427 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.8 t -117.91 125.51 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 CA-C-O 121.153 0.502 . . . . 0.0 110.538 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.692 HD22 ' N ' ' A' ' 137' ' ' ASN . 0.6 OUTLIER -88.24 150.08 23.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.375 179.869 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.538 ' CE2' HG21 ' A' ' 142' ' ' VAL . 68.3 t80 -45.84 -42.1 11.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.145 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.63 -49.91 75.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.83 -40.36 97.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.136 179.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -60.2 -52.38 65.56 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.92 0.39 . . . . 0.0 110.497 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.538 HG21 ' CE2' ' A' ' 138' ' ' TYR . 52.1 t -57.95 -44.49 86.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.045 -179.471 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.453 ' O ' ' OG1' ' A' ' 147' ' ' THR . 25.0 mtpp -64.22 -37.06 86.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.919 0.39 . . . . 0.0 111.207 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -35.64 78.87 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.2 ttm -90.46 -15.44 30.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.025 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.503 ' O ' ' OG1' ' A' ' 147' ' ' THR . 3.9 mmt -124.39 46.12 2.36 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.259 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.633 ' C ' ' H ' ' A' ' 149' ' ' ARG . 1.3 m -173.59 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.674 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.503 ' O ' HG12 ' A' ' 148' ' ' VAL . 98.8 t 57.96 -7.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.005 -179.047 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.633 ' H ' ' C ' ' A' ' 147' ' ' THR . 84.3 mtp180 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.821 -1.085 . . . . 0.0 110.28 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -62.13 -43.94 97.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.399 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -65.34 -39.17 92.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.588 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.476 ' NH2' ' OE2' ' A' ' 120' ' ' GLU . 10.8 tpp85 -59.96 -46.33 89.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.47 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.557 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 8.8 m95 -66.7 -47.27 72.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.956 0.408 . . . . 0.0 110.031 179.009 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -64.12 -37.89 89.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.783 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 68.3 m -61.22 -43.44 98.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.17 179.358 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.755 ' O ' HG23 ' B' ' 30' ' ' VAL . 50.2 p -60.18 -43.66 95.68 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.289 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.31 -43.88 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.223 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -65.25 -46.73 79.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.264 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.98 -41.63 91.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.602 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.755 HG23 ' O ' ' B' ' 26' ' ' SER . 54.0 t -61.31 -42.78 94.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.004 179.437 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.404 ' HD3' ' H ' ' A' ' 77' ' ' LYS . 3.8 ttmp? -57.8 -46.04 85.2 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.066 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -65.25 -39.15 92.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.057 179.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.671 ' O ' ' N ' ' B' ' 35' ' ' ARG . 61.5 ttp180 -63.91 -45.75 87.91 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.626 -179.768 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.595 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 47.07 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 O-C-N 123.67 0.606 . . . . 0.0 110.663 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.671 ' N ' ' O ' ' B' ' 33' ' ' ARG . 44.1 ttm180 66.57 -33.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.537 0.523 . . . . 0.0 110.068 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.595 ' H ' ' C ' ' B' ' 34' ' ' ALA . 55.5 ttm-85 -87.73 -8.49 55.99 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.121 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.497 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.9 OUTLIER 67.03 42.46 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.407 179.38 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.508 ' NH2' ' OG1' ' A' ' 79' ' ' THR . 14.5 mtm180 -38.13 -34.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.668 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.0 ttt -65.05 -71.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.66 -43.06 98.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.469 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.4 m -54.7 -44.96 73.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.526 -179.465 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.404 ' C ' HD22 ' B' ' 43' ' ' LEU . 42.7 t-20 -63.58 -41.94 98.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.375 179.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.557 ' N ' HD22 ' B' ' 43' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.423 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' A' ' 3' ' ' ILE . . . . . . . . 0 N--CA 1.486 1.352 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 1' ' ' ALA . 99.7 m-20 33.51 -85.53 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.811 0.694 . . . . 0.0 110.986 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.644 HG22 ' N ' ' A' ' 4' ' ' LEU . 95.9 mt -63.73 166.33 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.45 179.304 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.644 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER 72.52 139.56 0.05 Allowed 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 123.832 0.707 . . . . 0.0 110.409 179.838 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.622 ' N ' HD12 ' A' ' 4' ' ' LEU . 44.5 t -113.67 162.52 16.14 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 121.255 0.55 . . . . 0.0 110.284 178.435 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -57.52 -27.03 62.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.558 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -48.17 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.834 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -49.22 -45.16 44.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 mm -61.21 -44.03 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.234 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.0 t -55.64 -46.97 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -54.39 -48.27 71.74 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.38 0.609 . . . . 0.0 109.889 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -62.94 -41.95 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.033 178.374 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -56.79 -37.54 71.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.994 -179.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.13 -50.19 71.4 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.371 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.0 -42.54 63.07 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.089 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.534 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 18.3 t80 -59.98 -45.79 91.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.173 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.91 -41.13 58.59 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.59 -42.98 99.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.563 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 15.0 m-85 -62.21 -40.73 97.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.582 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.534 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 93.3 m-20 -105.85 74.97 1.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.721 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -53.84 -18.35 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.557 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.8 p30 -106.67 34.34 3.46 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.557 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.27 61.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.891 -0.483 . . . . 0.0 111.891 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 75.5 m-20 -86.61 -29.45 22.56 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 120.364 -0.535 . . . . 0.0 109.768 -178.256 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.507 ' O ' ' SG ' ' A' ' 26' ' ' CYS . . . 105.42 7.71 36.75 Favored Glycine 0 N--CA 1.467 0.76 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 41.5 m -154.76 157.28 37.75 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 120.873 0.368 . . . . 0.0 110.291 179.732 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 98.8 mt -112.91 116.52 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.241 179.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 m -104.67 151.73 23.35 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.753 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.5 t -49.8 -42.67 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.116 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.71 -59.5 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.579 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 60.2 mt-10 -59.11 -46.18 88.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.002 0.429 . . . . 0.0 110.044 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.94 -40.28 97.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.644 179.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.98 -46.67 89.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.975 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.431 ' OG1' ' NH2' ' A' ' 37' ' ' ARG . 20.6 m -55.24 -42.81 73.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.105 179.639 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.57 -47.86 91.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.4 mt -65.01 -45.05 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.756 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.431 ' NH2' ' OG1' ' A' ' 34' ' ' THR . 88.4 mtm180 -54.19 -43.05 70.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.285 -179.411 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.61 ' C ' ' H ' ' A' ' 40' ' ' ASP . 4.6 t -63.26 -30.06 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.085 178.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' CD2' ' OG ' ' B' ' 41' ' ' SER . 0.7 OUTLIER -62.23 10.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.61 ' H ' ' C ' ' A' ' 38' ' ' SER . 2.2 t70 80.75 -13.36 0.94 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.539 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -113.67 139.11 49.33 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -129.31 80.38 72.4 Favored Pre-proline 0 N--CA 1.466 0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.159 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.41 155.79 50.29 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.961 2.441 . . . . 0.0 112.1 179.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -63.33 143.63 57.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.446 179.815 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -63.4 -28.72 70.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.679 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 81.1 tt0 -60.49 -62.37 1.91 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.955 -179.266 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.502 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 38.5 tp10 -59.58 -27.24 66.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.111 0.481 . . . . 0.0 110.575 -179.609 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 48' ' ' LEU . 33.6 tp -80.44 -39.92 27.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -68.56 -42.25 78.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.042 -178.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 51' ' ' MET . 2.5 p30 -72.53 -44.72 61.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.752 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.554 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 35.0 ttp -57.76 -45.99 85.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.588 -179.438 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.82 -42.23 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.009 179.21 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.1 p -74.11 -27.64 60.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 -179.516 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 50' ' ' ASP . 83.2 tt0 -65.24 -43.35 91.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.54 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 82.6 t -75.75 -44.26 39.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.683 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.439 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 10.5 t0 -76.04 108.47 8.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.29 -179.168 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.573 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -43.9 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.1 p30 -60.02 4.13 0.05 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.573 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 18.08 60.22 0.01 OUTLIER Glycine 0 C--N 1.344 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.525 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.745 HD22 ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -82.45 -17.54 44.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.737 0.304 . . . . 0.0 110.555 -178.827 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.745 ' N ' HD22 ' A' ' 60' ' ' ASN . . . 102.86 4.73 48.31 Favored Glycine 0 N--CA 1.464 0.505 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.464 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.735 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 21.9 p -135.19 124.19 24.21 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.513 179.674 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.6 mt -92.03 124.39 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.252 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.07 171.93 9.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.375 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -55.14 -46.09 75.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.48 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.64 -42.25 96.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.86 0.362 . . . . 0.0 110.821 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -71.86 -48.17 47.83 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.551 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -56.79 -45.21 82.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.147 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.526 HD23 ' C ' ' A' ' 69' ' ' LEU . 2.8 tt -58.79 -59.86 4.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.63 -178.757 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.4 m -64.27 -43.47 94.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.077 0.465 . . . . 0.0 111.197 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.705 ' C ' HD23 ' A' ' 71' ' ' LEU . 5.6 tt -46.29 -48.16 18.14 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.698 -179.275 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.532 ' N ' HD23 ' A' ' 71' ' ' LEU . 5.3 tpt -85.18 -61.21 1.82 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.153 -178.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.19 -32.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.975 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -88.33 -61.32 1.74 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.438 -179.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' O ' HG23 ' A' ' 76' ' ' VAL . 26.1 mtpp -61.73 94.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.116 -179.545 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 76' ' ' VAL . 44.9 t -156.22 79.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.562 179.015 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' A' ' 79' ' ' THR . 62.5 tttm -127.68 -105.24 0.32 Allowed 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 119.084 -0.484 . . . . 0.0 109.894 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' LYS . 99.2 m-20 24.99 -82.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 O-C-N 124.091 0.869 . . . . 0.0 111.425 -179.73 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.604 ' N ' ' O ' ' A' ' 77' ' ' LYS . 55.3 m 60.52 146.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.82 0.7 . . . . 0.0 110.11 178.406 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 18.8 t0 -156.49 138.33 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.24 179.847 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.522 ' N ' ' OD1' ' A' ' 80' ' ' ASP . . . -63.8 -58.49 6.66 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.435 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -54.62 -32.64 59.2 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.104 0.478 . . . . 0.0 111.487 -179.511 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -76.08 -47.3 25.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.179 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 30.1 tt0 -76.64 -32.01 57.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.105 0.478 . . . . 0.0 110.675 -179.489 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.64 -40.15 92.19 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.292 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -83.46 -43.73 15.5 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.284 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 91' ' ' VAL . 78.6 tt0 -64.41 -38.27 90.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.233 -179.523 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -66.74 -59.22 3.76 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.139 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -54.05 -41.99 68.74 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -59.01 -37.75 77.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 87' ' ' GLU . 70.6 t -74.15 -51.63 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.967 0.413 . . . . 0.0 110.656 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 8.3 m-30 -60.66 -48.41 81.9 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.639 -179.566 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 96' ' ' GLN . 34.8 t0 -84.19 68.2 10.04 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.307 0.379 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -40.88 -59.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.178 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 55.6 p-10 -66.9 -4.14 8.68 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.98 -179.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 93' ' ' ASP . 12.0 pt20 34.89 59.26 0.7 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.483 0.49 . . . . 0.0 110.706 179.292 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -96.98 3.05 52.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.417 -179.244 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.8 1.72 58.62 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.471 ' CG ' ' NE2' ' A' ' 135' ' ' GLN . 2.7 m-85 -145.49 150.05 35.76 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 110.156 179.671 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.0 mt -97.65 117.24 42.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.222 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 m -84.93 147.92 26.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.349 179.566 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.9 -45.54 74.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.635 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.522 ' OG ' ' NE2' ' A' ' 107' ' ' HIS . 11.7 t -60.7 -44.09 96.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 110.635 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -59.53 -55.14 38.31 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 121.073 0.463 . . . . 0.0 110.443 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.621 HD21 ' SD ' ' A' ' 124' ' ' MET . 43.2 tp -62.43 -21.41 65.4 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.393 179.17 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.478 ' O ' HG22 ' A' ' 110' ' ' ILE . 60.6 ttp180 -82.45 -41.56 19.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.793 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.522 ' NE2' ' OG ' ' A' ' 103' ' ' SER . 37.8 m-70 -56.33 -50.79 70.46 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.607 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 109' ' ' MET . 13.9 t -62.32 -63.88 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.898 179.536 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -32.12 -74.68 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.517 0.51 . . . . 0.0 111.233 -179.098 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.629 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.7 tt -49.05 -47.97 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.629 ' N ' HG23 ' A' ' 110' ' ' ILE . 11.2 m120 -61.45 -15.49 37.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.278 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 108' ' ' VAL . 3.7 mp -113.77 7.69 17.21 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 179.168 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.57 109.3 3.3 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 2.7 tt0 -172.47 179.22 2.55 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.125 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 114' ' ' GLU . 12.5 mttp 161.77 52.42 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.599 0.714 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.498 HD11 ' NH1' ' B' ' 22' ' ' ARG . 22.8 mt -104.9 138.03 41.75 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.764 -179.917 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.6 p -48.57 150.0 1.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.598 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -45.44 -42.37 10.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.496 -179.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -56.41 -46.61 80.11 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.36 0.6 . . . . 0.0 110.501 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -63.56 -38.49 91.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.238 179.174 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.43 ' O ' ' HB3' ' A' ' 124' ' ' MET . 57.6 t -58.96 -42.47 86.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.42 0.628 . . . . 0.0 109.638 179.368 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -54.31 -57.76 9.99 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.601 -0.439 . . . . 0.0 109.916 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -55.45 -26.04 39.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.485 0.66 . . . . 0.0 110.954 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.621 ' SD ' HD21 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -60.24 -54.77 41.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.373 -179.4 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.2 tt -86.21 -29.37 6.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.047 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -60.03 -27.3 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.607 -178.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -68.6 -49.73 57.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.16 -179.289 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.29 -6.73 52.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.174 0.511 . . . . 0.0 110.652 -179.696 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.485 ' OD1' ' O ' ' A' ' 132' ' ' GLY . 0.2 OUTLIER -88.82 91.61 8.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.558 179.66 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.633 HD22 ' N ' ' A' ' 130' ' ' LEU . 3.8 mm? -70.11 -57.63 4.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.805 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -91.77 1.05 57.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.0 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.61 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 70.72 -75.53 0.56 Allowed Glycine 0 C--O 1.224 -0.491 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.952 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.571 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 6.1 p30 40.74 16.6 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.665 0.269 . . . . 0.0 110.422 -179.042 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 75.7 -20.14 2.38 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.463 -0.399 . . . . 0.0 112.299 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.571 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 12.9 pt20 -136.88 174.44 10.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.785 0.802 . . . . 0.0 110.837 -178.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.7 t -110.2 123.01 65.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.828 179.38 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.678 HD22 ' N ' ' A' ' 137' ' ' ASN . 0.4 OUTLIER -80.53 154.68 27.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.409 179.504 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.419 ' CE1' HG21 ' A' ' 142' ' ' VAL . 40.6 t80 -55.38 -44.35 76.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -54.74 -44.42 73.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.252 -179.567 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.32 -38.22 88.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.312 179.521 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.01 -48.19 82.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.793 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.419 HG21 ' CE1' ' A' ' 138' ' ' TYR . 88.2 t -60.6 -44.42 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.673 -179.712 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.405 ' O ' ' OG1' ' A' ' 147' ' ' THR . 51.3 mtpt -60.25 -41.41 93.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.053 -179.35 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' A' ' 144' ' ' MET . 6.0 tmm? -72.64 -37.7 67.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.129 0.49 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.473 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 2.2 tpt -63.56 -33.73 76.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.935 -179.483 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.8 mmt -80.27 -55.34 4.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 -179.332 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 143' ' ' LYS . 0.5 OUTLIER -46.8 -63.99 0.88 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.174 -179.217 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 145' ' ' MET . 4.7 t 43.78 59.22 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.334 -179.357 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.467 ' O ' ' NE ' ' B' ' 20' ' ' ARG . 40.6 ptt180 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.558 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.467 ' NE ' ' O ' ' A' ' 149' ' ' ARG . 25.2 mtm-85 -59.81 -47.26 86.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -66.07 -40.74 91.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.56 -179.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.498 ' NH1' HD11 ' A' ' 116' ' ' LEU . 84.7 mtt-85 -61.6 -42.33 98.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.984 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.574 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 3.6 m95 -60.88 -48.39 82.03 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.034 178.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -66.03 -34.0 77.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.774 179.27 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.4 t -60.59 -46.89 88.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.149 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.463 ' O ' HG23 ' B' ' 30' ' ' VAL . 28.7 m -60.75 -43.8 97.52 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.259 179.404 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.8 t -67.66 -42.83 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.207 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -61.58 -42.52 98.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.56 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 56.6 mt -61.34 -41.96 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.757 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 26' ' ' SER . 64.0 t -60.35 -40.06 82.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.523 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -60.03 -46.68 88.73 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.229 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -67.23 -38.72 85.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.134 178.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.623 ' NH2' ' NH2' ' B' ' 35' ' ' ARG . 58.5 ttt85 -67.74 -44.38 77.72 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.341 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . 36.83 92.08 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.203 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.623 ' NH2' ' NH2' ' B' ' 33' ' ' ARG . 6.3 mmt85 -93.72 7.91 43.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.47 179.677 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.418 ' C ' ' CG ' ' B' ' 37' ' ' PHE . 90.1 mtt-85 -130.73 1.38 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 0.7 OUTLIER 62.05 45.96 6.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.419 179.572 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.525 ' NE ' ' OE1' ' A' ' 87' ' ' GLU . 65.7 mtp180 -39.73 -37.6 0.55 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.992 0.425 . . . . 0.0 110.653 -179.279 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 85.1 mmm -67.39 -68.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.156 -179.498 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.56 -43.09 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.588 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.487 ' OG ' ' CD2' ' A' ' 39' ' ' LEU . 30.2 t -55.33 -44.68 76.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.222 -179.229 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -64.16 -41.56 97.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 179.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.536 HD12 ' N ' ' B' ' 43' ' ' LEU . 10.5 mp . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.38 -179.823 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -116.89 -34.64 4.37 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.659 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.2 tt -117.62 153.92 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.813 -179.694 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.8 30.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.343 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -101.08 164.51 11.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.767 179.598 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -57.63 -14.52 5.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.76 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 11.6 mp0 -60.54 -57.44 12.71 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.941 0.4 . . . . 0.0 110.54 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -47.06 -40.25 14.59 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.091 -179.515 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.7 mm -66.33 -42.71 91.14 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.293 179.152 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.89 -47.73 85.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.704 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.81 -53.62 54.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.301 0.572 . . . . 0.0 110.233 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -58.21 -42.57 86.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.621 179.362 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -62.03 -40.27 95.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.418 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -58.88 -51.61 69.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.377 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.44 -37.78 70.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.936 0.398 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 59.2 t80 -63.72 -47.57 80.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.602 179.068 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.24 -36.02 61.51 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.456 -1.057 . . . . 0.0 110.456 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.55 -46.01 77.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.681 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.539 ' CE2' ' CE1' ' B' ' 37' ' ' PHE . 8.2 m-85 -56.0 -34.35 65.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.165 -179.407 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.417 ' OD2' ' CZ ' ' A' ' 16' ' ' PHE . 97.9 m-20 -103.31 79.8 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.846 -179.678 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' NZ ' HG22 ' A' ' 35' ' ' VAL . 46.9 mttm -56.92 -15.98 5.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.276 -179.212 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' GLY . 50.6 p30 -117.14 35.1 4.79 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.763 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 14.35 56.45 0.01 OUTLIER Glycine 0 C--N 1.349 1.288 0 O-C-N 123.963 0.789 . . . . 0.0 111.781 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 25.8 p-10 -81.96 -27.61 33.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.933 0.397 . . . . 0.0 110.764 -178.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 109.37 7.27 28.49 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 20.7 m -159.51 163.01 35.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.4 mt -116.69 119.4 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 m -97.14 151.57 19.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.017 0.436 . . . . 0.0 111.134 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.0 t -46.01 -41.69 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.119 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.31 -56.91 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -57.0 -45.14 83.23 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -61.47 -41.43 97.23 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.881 -178.587 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.64 -47.92 78.68 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.759 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 m -60.16 -54.78 41.75 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.204 -179.257 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.412 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 83.9 t -48.27 -46.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.442 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.407 ' CD1' HD12 ' A' ' 32' ' ' LEU . 77.3 mt -62.47 -43.62 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.602 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.81 -29.8 65.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.944 0.402 . . . . 0.0 110.676 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.427 ' C ' ' H ' ' A' ' 40' ' ' ASP . 25.0 p -56.78 -31.32 64.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.389 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 41' ' ' GLN . 5.7 mp -75.74 13.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.366 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 38' ' ' SER . 11.8 t0 72.73 -18.6 0.34 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.49 ' H ' ' C ' ' A' ' 39' ' ' LEU . 77.9 mt-30 -78.45 168.65 19.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.289 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -156.74 84.15 3.11 Favored Pre-proline 0 C--N 1.323 -0.554 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.703 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -75.61 170.62 19.85 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.796 2.331 . . . . 0.0 111.942 -179.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.518 HG22 ' H ' ' A' ' 46' ' ' GLU . 73.8 m -79.91 155.76 27.6 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.549 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.437 ' N ' HG22 ' A' ' 44' ' ' THR . 12.2 pt-20 -73.67 -40.74 63.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.534 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.518 ' H ' HG22 ' A' ' 44' ' ' THR . 80.7 mm-40 -49.31 -60.87 2.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.506 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -57.59 -67.45 0.33 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -43.66 -46.02 7.17 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.616 -178.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 66.3 tt0 -66.09 -37.14 85.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.255 179.635 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -66.93 -43.87 82.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.498 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.6 tmm? -60.15 -45.7 92.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.774 -179.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.412 HG12 HD11 ' A' ' 63' ' ' ILE . 27.2 mt -70.28 -28.8 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.971 0.415 . . . . 0.0 110.32 179.358 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.9 m -68.36 -46.77 69.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.277 -179.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -62.55 -37.62 86.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 t -80.6 -44.8 21.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.645 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 60' ' ' ASN . 34.3 t0 -69.07 100.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.415 -179.488 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.563 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -49.73 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.913 -179.637 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 59' ' ' GLY . 32.6 p-10 -63.04 8.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 -179.578 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 28.63 62.84 0.12 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.459 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.615 ' CG ' ' HG1' ' A' ' 62' ' ' THR . 38.7 p30 -101.31 26.61 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.464 -179.055 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 49.7 18.95 1.94 Allowed Glycine 0 CA--C 1.518 0.221 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.615 ' HG1' ' CG ' ' A' ' 60' ' ' ASN . 22.7 p -138.46 138.18 37.87 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.692 0.282 . . . . 0.0 110.315 179.445 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.412 HD11 HG12 ' A' ' 52' ' ' ILE . 52.1 mt -102.06 129.82 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.834 0.35 . . . . 0.0 110.47 -179.625 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -94.11 154.92 17.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.359 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -44.0 -50.16 8.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.545 -179.335 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -60.89 -36.78 80.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.394 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.24 -48.35 57.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.497 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.0 -42.77 99.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.296 179.56 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -58.27 -62.34 1.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.674 -178.778 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.7 p -59.61 -37.28 78.16 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.283 -179.006 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 71' ' ' LEU . 3.0 tm? -62.03 -51.92 66.04 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.801 -178.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.558 ' SD ' ' SD ' ' B' ' 39' ' ' MET . 8.0 tpt -73.33 -40.48 64.42 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.413 -179.049 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.4 -23.68 65.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.756 -179.64 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -57.98 -64.58 0.86 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.729 -179.359 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 76' ' ' VAL . 49.9 tptt -42.13 -79.88 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.264 -178.338 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.515 ' C ' ' O ' ' A' ' 75' ' ' LYS . 10.1 t -17.47 108.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 124.296 0.997 . . . . 0.0 110.606 179.774 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -170.73 -86.77 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.486 -179.052 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -167.04 -52.86 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.44 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.4 p 54.78 -134.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.686 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 8.8 t0 -76.79 143.46 39.81 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.463 0.649 . . . . 0.0 110.939 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.498 ' N ' ' OD1' ' A' ' 80' ' ' ASP . . . -73.47 -54.86 7.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.776 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.54 -17.42 13.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.11 0.481 . . . . 0.0 110.51 -179.416 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -81.11 -53.64 6.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.435 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.559 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 73.6 mm-40 -72.24 -36.56 69.13 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.258 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.772 HD21 HG22 ' A' ' 142' ' ' VAL . 10.3 tp -67.14 -39.73 86.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.691 -179.332 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -80.36 -43.39 21.2 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 91' ' ' VAL . 11.4 tm-20 -57.61 -42.98 84.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.152 0.501 . . . . 0.0 110.069 -179.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.14 -56.05 22.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.923 179.446 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.478 ' CZ ' ' CG ' ' A' ' 93' ' ' ASP . 80.8 t80 -55.88 -38.25 69.9 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.278 179.821 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -57.23 -37.86 72.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.449 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 87' ' ' GLU . 82.8 t -72.36 -51.56 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.807 179.306 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -62.52 -49.0 77.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.226 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' GLN . 0.9 OUTLIER -76.92 53.6 0.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.263 0.554 . . . . 0.0 109.74 -179.69 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -42.3 -59.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.307 -178.506 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.452 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 1.5 p-10 -69.01 -3.84 14.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.409 -179.818 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 93' ' ' ASP . 97.3 mt-30 46.43 47.66 13.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.498 179.555 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -87.79 -2.87 58.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.519 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.432 ' O ' ' OD1' ' A' ' 137' ' ' ASN . . . 92.03 1.47 70.0 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.433 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 6.3 m-85 -144.53 149.95 36.73 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.7 mt -97.85 115.2 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.556 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 m -89.49 148.98 23.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.224 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.19 -43.75 32.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.352 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.8 t -58.63 -40.78 84.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.386 . . . . 0.0 110.505 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' OE2' ' OD1' ' A' ' 95' ' ' ASP . 83.1 mt-10 -65.24 -51.87 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.101 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.6 tp -67.61 -26.79 66.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.365 179.655 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.502 ' O ' HG22 ' A' ' 110' ' ' ILE . 61.6 ttp180 -78.62 -45.54 21.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.144 179.556 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -56.75 -48.71 77.2 Favored 'General case' 0 CA--C 1.516 -0.353 0 O-C-N 123.659 0.599 . . . . 0.0 109.657 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 109' ' ' MET . 52.0 t -63.04 -62.92 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.738 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' VAL . 1.4 mmt -31.8 -73.2 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.055 0.455 . . . . 0.0 111.046 -179.366 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.597 HG23 ' N ' ' A' ' 111' ' ' ASN . 15.7 tt -51.25 -45.5 32.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.753 -179.265 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.597 ' N ' HG23 ' A' ' 110' ' ' ILE . 24.8 t-20 -54.09 -12.01 0.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.541 -179.512 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.433 ' C ' HH12 ' B' ' 33' ' ' ARG . 88.3 mt -99.45 11.03 40.25 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.735 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.72 -55.09 1.4 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.77 111.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.817 0.342 . . . . 0.0 110.5 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -94.59 118.16 31.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.263 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 66.2 mt -110.49 136.66 49.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.424 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.2 p -69.73 168.31 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.515 -179.647 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -64.23 -23.48 67.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.298 -179.769 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -71.3 -46.48 60.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.942 0.401 . . . . 0.0 110.688 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.23 -44.35 84.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.539 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.62 -48.42 86.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.25 -27.05 68.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.986 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -67.71 -63.38 1.07 Allowed 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.984 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 23' ' ' TRP . 5.0 ttp -53.24 -56.44 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.574 -178.103 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 126' ' ' LYS . 19.1 tt -50.96 -38.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.454 -179.377 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.433 ' N ' HG23 ' A' ' 125' ' ' ILE . 60.0 mttm -67.98 -35.74 78.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.76 178.843 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -77.79 -54.71 6.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.454 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -50.67 -38.45 46.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.705 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.551 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 37.4 t0 -69.58 108.18 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.02 -44.03 55.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.688 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.526 ' O ' ' O ' ' A' ' 132' ' ' GLY . 32.9 p30 -89.56 2.09 55.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.038 -179.104 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.526 ' O ' ' O ' ' A' ' 131' ' ' ASP . . . 48.44 113.11 0.01 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.352 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.551 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.3 m-20 -153.5 -12.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.238 -0.566 . . . . 0.0 110.657 179.817 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.415 ' H ' ' H ' ' A' ' 133' ' ' ASP . . . 102.73 -9.15 55.25 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.684 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -144.22 149.8 36.94 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.821 0.344 . . . . 0.0 110.397 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.4 t -100.14 124.48 53.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.287 0.565 . . . . 0.0 110.734 179.577 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 98' ' ' GLY . 54.8 t30 -86.73 155.8 20.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.413 179.346 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.507 ' CZ ' HG21 ' A' ' 142' ' ' VAL . 83.0 t80 -51.08 -42.24 60.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.109 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -61.1 -44.52 97.23 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.52 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.425 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 97.5 mt-10 -66.05 -41.94 90.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.154 179.471 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -61.75 -48.13 82.07 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.128 0.49 . . . . 0.0 110.345 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.772 HG22 HD21 ' A' ' 85' ' ' LEU . 28.1 t -60.98 -45.07 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.184 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -59.9 -36.04 76.13 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.22 -179.112 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 ttp -70.62 -30.28 66.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.979 0.418 . . . . 0.0 110.679 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.8 mmt -73.48 -27.16 61.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.009 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.12 63.21 1.41 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.541 -179.725 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.51 ' O ' ' C ' ' A' ' 148' ' ' VAL . 99.8 m -164.22 -34.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.502 179.622 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.51 ' C ' ' O ' ' A' ' 147' ' ' THR . 48.8 t -16.81 122.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 124.242 0.964 . . . . 0.0 111.082 -179.676 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 . . . . . 0 C--N 1.322 -0.609 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.687 -178.709 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.517 ' O ' ' SD ' ' A' ' 124' ' ' MET . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.677 ' NH1' HE22 ' B' ' 21' ' ' GLN . 8.6 tmm_? -57.46 -39.05 75.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.439 -179.823 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.677 HE22 ' NH1' ' B' ' 20' ' ' ARG . 94.4 mm-40 -63.44 -41.87 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.279 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -64.38 -39.31 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.283 179.578 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 2.8 m95 -62.25 -49.93 73.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.021 0.438 . . . . 0.0 110.011 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -65.57 -36.97 85.33 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.879 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m -60.5 -43.74 96.71 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.197 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 89.5 p -60.57 -43.28 97.49 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.286 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.461 ' O ' HG12 ' B' ' 30' ' ' VAL . 95.0 t -70.88 -41.34 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.601 0.715 . . . . 0.0 110.721 179.501 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.2 t -70.44 -39.61 74.25 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.303 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 65.5 mt -65.65 -43.62 93.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.754 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.461 HG12 ' O ' ' B' ' 27' ' ' VAL . 0.3 OUTLIER -63.29 -37.65 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.974 -179.424 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.559 ' NZ ' ' OE1' ' A' ' 84' ' ' GLU . 9.6 ttmm -77.01 -37.28 55.33 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.754 -179.302 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -78.78 -16.0 57.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.062 -179.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.433 HH12 ' C ' ' A' ' 112' ' ' LEU . 24.1 ttm180 -89.75 -58.34 2.55 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.22 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 33.05 57.8 0.46 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.41 0.444 . . . . 0.0 110.896 -179.41 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -60.76 -6.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.169 -178.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.468 ' HB2' HD21 ' A' ' 39' ' ' LEU . 28.8 ptt180 -107.53 -4.46 18.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.015 0.436 . . . . 0.0 110.756 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.539 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 1.5 m-85 66.18 48.43 1.68 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.621 -179.439 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -45.56 -31.37 1.8 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.851 0.358 . . . . 0.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.558 ' SD ' ' SD ' ' A' ' 72' ' ' MET . 45.7 mtt -68.22 -65.4 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.718 -179.486 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.92 -42.3 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.395 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -53.62 -45.56 70.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.197 -179.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -64.43 -40.61 96.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.335 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.408 -179.816 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.29 143.36 57.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.343 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 4' ' ' LEU . 1.1 mt -102.79 -158.69 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.337 -179.651 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.589 ' H ' HG22 ' A' ' 3' ' ' ILE . 80.0 mt -74.46 173.78 9.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.261 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -137.26 135.81 37.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.352 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 49.2 mp0 -55.7 -25.91 42.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.42 -179.712 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -53.27 -61.04 2.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.549 -179.819 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -47.92 -42.01 26.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.266 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.5 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.3 mp -68.97 -42.1 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.323 179.151 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 6' ' ' GLU . 25.6 t -60.78 -50.05 82.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.229 -179.559 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -59.74 -47.54 85.26 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.449 -0.5 . . . . 0.0 109.897 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.12 -43.36 99.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.55 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -63.72 -40.74 97.5 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.497 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' HD13 ' A' ' 18' ' ' LEU . 34.8 tp10 -56.95 -50.87 71.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.269 -179.762 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.34 77.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.159 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.7 -48.39 80.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.406 179.218 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.93 -33.32 63.54 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 14' ' ' GLU . 7.4 mp -66.75 -46.39 75.55 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.905 179.179 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -64.01 -36.17 83.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.656 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 58.8 t0 -92.04 80.18 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.26 0.553 . . . . 0.0 110.878 -179.254 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -64.85 -31.4 72.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.291 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 23' ' ' GLY . 54.3 p-10 -101.44 33.99 2.74 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.133 -179.212 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.511 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 15.6 57.76 0.01 OUTLIER Glycine 0 C--N 1.351 1.412 0 O-C-N 124.052 0.845 . . . . 0.0 111.857 179.338 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 21.6 p-10 -88.95 -25.38 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.393 . . . . 0.0 110.522 -178.753 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 111.02 -15.61 28.26 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' OD2' ' A' ' 24' ' ' ASP . 2.3 m -145.06 134.24 22.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.105 0.478 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.7 mt -80.9 124.0 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.3 m -94.88 152.69 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.624 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.4 t -45.98 -43.97 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.192 -179.563 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -61.81 -51.88 66.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.571 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.3 mt-10 -56.19 -46.41 79.4 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.698 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.8 tm? -64.01 -43.68 94.92 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.247 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.98 77.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.967 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.3 m -58.27 -43.49 87.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.513 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 31' ' ' GLU . 57.4 t -58.76 -47.04 90.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.514 -179.341 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.419 ' CD1' HD11 ' A' ' 32' ' ' LEU . 27.7 mt -61.09 -42.46 93.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.892 0.377 . . . . 0.0 110.213 -179.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -54.02 -41.7 68.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.19 -179.375 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -88.43 16.08 6.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.501 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.8 OUTLIER -128.13 8.61 6.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.986 179.42 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -176.43 -105.36 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.427 ' CG ' ' H ' ' A' ' 42' ' ' ASN . 1.4 pt20 -129.56 -106.64 0.29 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.661 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.457 ' O ' ' O ' ' A' ' 43' ' ' PRO . 39.6 t30 -163.02 76.3 1.89 Allowed Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.444 -179.788 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 42' ' ' ASN . 50.3 Cg_exo -54.65 -140.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 123.034 2.49 . . . . 0.0 111.892 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.9 t -129.5 148.98 51.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.4 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -65.17 -29.98 70.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -54.44 -47.13 73.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 44' ' ' THR . 41.6 tp10 -60.29 -68.92 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.81 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.0 mt -46.25 -46.22 17.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.232 -179.01 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -57.97 -41.16 82.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.305 179.333 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -66.32 -49.06 68.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.625 179.522 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.8 ttm -62.89 -47.95 81.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.524 -179.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.618 ' CD1' HD11 ' A' ' 63' ' ' ILE . 33.8 mm -64.9 -27.42 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.236 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.4 t -82.95 -38.91 22.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.945 0.403 . . . . 0.0 111.415 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -57.97 -35.87 71.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.886 -178.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 57' ' ' ALA . 62.1 t -91.96 -52.86 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.119 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 52' ' ' ILE . 37.4 m-20 -37.43 96.35 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.976 0.417 . . . . 0.0 110.776 -179.528 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . -87.36 6.64 32.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.571 179.41 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 59' ' ' GLY . 35.3 p-10 -128.58 17.9 6.35 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.6 39.91 0.04 OUTLIER Glycine 0 N--CA 1.469 0.864 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.759 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 43.5 p-10 -84.87 -29.03 25.59 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.617 0.246 . . . . 0.0 110.65 -179.336 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 90.92 2.4 71.82 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.462 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 22.6 p -137.59 156.89 47.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.709 0.29 . . . . 0.0 110.358 179.743 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.618 HD11 ' CD1' ' A' ' 52' ' ' ILE . 71.7 mt -103.61 128.05 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.044 -179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 97.0 mt-10 -101.63 162.24 13.05 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.32 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -42.23 -51.05 4.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 0.0 110.863 -179.356 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -61.48 -37.41 83.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.178 0.513 . . . . 0.0 110.085 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.491 ' HB2' ' H ' ' A' ' 64' ' ' GLU . 77.2 mt-10 -74.51 -42.06 59.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.669 179.286 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 24.2 t80 -59.8 -44.52 93.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.8 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 73' ' ' ALA . 1.4 tt -60.31 -45.86 91.92 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.305 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.4 t -56.09 -41.89 75.87 Favored 'General case' 0 C--O 1.255 1.356 0 CA-C-O 122.101 0.953 . . . . 0.0 110.535 179.612 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -57.73 -49.98 74.74 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.187 -179.434 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.0 mmt -85.39 -10.75 55.84 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.536 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -58.26 -31.67 67.64 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.47 -6.73 7.93 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.043 178.785 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt 68.16 -110.75 0.11 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.715 0.634 . . . . 0.0 111.04 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.598 HG13 ' N ' ' A' ' 77' ' ' LYS . 5.6 p -134.64 -53.25 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.598 ' N ' HG13 ' A' ' 76' ' ' VAL . 62.1 tttm 174.35 144.56 0.05 Allowed 'General case' 0 CA--C 1.517 -0.29 0 O-C-N 123.677 0.611 . . . . 0.0 109.823 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' A' ' 77' ' ' LYS . 91.4 m-20 -18.45 -73.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.067 0.854 . . . . 0.0 111.242 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.538 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 2.1 m -162.67 -139.15 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 177.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.538 ' CG ' ' O ' ' A' ' 79' ' ' THR . 35.5 m-20 127.49 116.32 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 O-C-N 125.754 1.909 . . . . 0.0 111.094 179.219 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.32 -54.09 6.9 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.193 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -53.9 -25.2 19.03 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.205 -179.456 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -79.71 -62.57 1.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.868 179.848 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 98.5 mt-10 -65.99 -36.32 82.99 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.669 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.925 HD21 HG22 ' A' ' 142' ' ' VAL . 13.2 tp -67.18 -40.33 86.56 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.145 -179.322 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -81.98 -48.31 11.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.244 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.657 ' O ' HG23 ' A' ' 91' ' ' VAL . 81.0 mm-40 -60.13 -30.98 69.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.273 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' GLU . . . -69.07 -59.1 3.27 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.202 179.285 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 1.1 t80 -59.1 -31.07 68.59 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.07 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -65.47 -36.92 85.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -178.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 87' ' ' GLU . 99.2 t -75.74 -57.98 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.119 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -55.84 -43.94 77.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 -179.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 11.9 t0 -84.53 65.24 8.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.062 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -44.84 -55.88 5.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.605 -178.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -76.85 0.95 18.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 -178.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.426 ' OE1' ' CE1' ' A' ' 89' ' ' PHE . 12.9 mm100 48.11 23.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.457 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -53.76 -11.83 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.594 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.427 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 102.88 -9.62 55.26 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 1.8 m-85 -138.32 145.29 41.0 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 120.62 0.248 . . . . 0.0 110.374 -179.662 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -89.14 116.38 30.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 p -84.97 152.12 23.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.166 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.21 81.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.78 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.2 m -59.39 -42.88 92.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.79 0.328 . . . . 0.0 110.638 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -65.9 -54.0 32.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.469 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.31 -24.64 65.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.412 179.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.454 ' O ' HG22 ' A' ' 110' ' ' ILE . 76.8 ttt180 -80.68 -41.87 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.926 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.732 ' CE1' HD21 ' A' ' 111' ' ' ASN . 83.6 t60 -55.31 -52.2 64.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.495 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 109' ' ' MET . 6.5 t -62.34 -62.64 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 120.199 -0.6 . . . . 0.0 110.033 179.43 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.463 ' CE ' ' OG ' ' B' ' 26' ' ' SER . 0.6 OUTLIER -32.16 -74.8 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.125 0.488 . . . . 0.0 111.179 -179.182 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.644 HG23 ' N ' ' A' ' 111' ' ' ASN . 20.3 tt -52.28 -47.85 44.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.076 -178.804 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.732 HD21 ' CE1' ' A' ' 107' ' ' HIS . 45.7 m-20 -50.83 -12.86 0.12 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.755 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.554 HD11 ' NH1' ' B' ' 33' ' ' ARG . 7.4 mp -106.77 82.26 1.68 Allowed 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 112' ' ' LEU . . . 18.23 60.1 0.01 OUTLIER Glycine 0 N--CA 1.471 0.967 0 O-C-N 124.329 1.018 . . . . 0.0 111.997 179.071 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -145.93 120.71 9.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.245 0.545 . . . . 0.0 110.601 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -95.68 93.34 7.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.534 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.447 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -110.11 140.14 44.51 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.361 -179.733 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.8 p -88.4 177.82 6.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.379 179.371 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 18.5 p-10 -65.57 -28.59 69.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 179.743 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.97 -53.62 14.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -53.38 -41.18 65.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.002 0.43 . . . . 0.0 110.308 -179.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 82.9 t -64.78 -43.94 96.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.237 0.541 . . . . 0.0 110.128 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.31 -22.04 64.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.424 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -75.13 -57.42 3.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.647 -179.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.497 ' CG ' ' N ' ' A' ' 125' ' ' ILE . 21.3 ptm -58.69 -45.06 90.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 -178.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.497 ' N ' ' CG ' ' A' ' 124' ' ' MET . 3.6 tp -64.63 -41.33 91.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.747 -178.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.457 ' N ' HG23 ' A' ' 125' ' ' ILE . 37.1 ttmt -63.63 -45.01 92.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.761 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -73.48 -47.54 40.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.686 ' CB ' ' HE1' ' B' ' 23' ' ' TRP . . . -61.89 -29.03 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.44 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 68.5 t0 -85.14 107.55 17.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.53 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 130' ' ' LEU . 3.9 mm? -64.17 -40.2 95.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.65 -179.624 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.46 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 23.5 m-20 -84.42 1.92 43.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.211 -179.572 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.02 31.35 0.46 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.7 p30 -84.93 -1.84 57.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.655 0.264 . . . . 0.0 110.519 -179.663 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.01 17.84 58.79 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -149.55 155.15 39.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.068 0.461 . . . . 0.0 110.421 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.0 t -125.88 125.78 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.455 179.224 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -91.15 158.08 16.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.361 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -51.2 -42.26 60.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.42 -46.75 85.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.438 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.46 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 96.5 mt-10 -65.86 -36.7 84.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.042 179.406 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -60.93 -47.83 84.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.34 179.765 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.925 HG22 HD21 ' A' ' 85' ' ' LEU . 64.0 t -59.68 -45.05 94.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.069 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -64.09 -31.25 72.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.632 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.418 ' SD ' ' O ' ' A' ' 144' ' ' MET . 8.1 tpt -74.72 -28.57 60.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.296 179.67 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 9.3 ttm -92.04 -26.75 18.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.147 -179.296 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 59.0 mtt -100.95 39.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.7 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 51.6 m -143.46 -71.52 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.426 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.6 t 38.87 83.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.468 -179.651 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -62.1 -39.8 93.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -67.7 -37.06 81.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.415 ' O ' ' OG ' ' B' ' 26' ' ' SER . 13.5 mmp_? -61.26 -43.49 98.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.196 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.686 ' HE1' ' CB ' ' A' ' 128' ' ' ALA . 4.3 m95 -64.19 -49.75 70.82 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.218 0.532 . . . . 0.0 110.247 179.823 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -65.15 -36.32 83.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.909 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 38.8 t -62.05 -42.62 99.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.185 179.413 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.575 ' O ' HG23 ' B' ' 30' ' ' VAL . 1.1 m -60.04 -43.76 95.11 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.316 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.01 -43.84 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.736 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.2 m -67.68 -43.78 79.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.478 -179.234 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 33' ' ' ARG . 77.8 mt -63.23 -42.18 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 26' ' ' SER . 25.1 t -58.85 -45.11 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.1 -179.762 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.514 ' HZ3' HG11 ' A' ' 76' ' ' VAL . 6.0 tptm -67.65 -40.75 84.54 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.936 -179.186 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.7 -23.85 56.2 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.118 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.554 ' NH1' HD11 ' A' ' 112' ' ' LEU . 75.7 ttt180 -60.63 -52.11 66.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.451 -179.506 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' B' ' 33' ' ' ARG . . . 19.57 51.47 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.068 0.855 . . . . 0.0 111.491 -179.575 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' B' ' 33' ' ' ARG . 47.7 ttm-85 -69.4 8.47 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.072 -178.378 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.494 ' H ' ' C ' ' B' ' 34' ' ' ALA . 78.3 mtm180 -126.38 5.12 6.95 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.607 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' B' ' 41' ' ' SER . 0.2 OUTLIER 57.8 66.46 1.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.194 0.521 . . . . 0.0 110.006 179.36 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 81.1 mtm-85 -58.16 -37.88 75.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.219 -179.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 24.2 ttt -60.95 -63.14 1.4 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.37 -43.45 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.703 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 38.3 t -59.7 -44.44 93.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.265 -179.426 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.513 ' O ' ' C ' ' B' ' 43' ' ' LEU . 15.5 t-20 -81.51 -14.71 56.62 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.251 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.513 ' C ' ' O ' ' B' ' 42' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.798 0 O-C-N 124.159 0.912 . . . . 0.0 111.888 179.253 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.55 ' C ' ' H ' ' A' ' 4' ' ' LEU . 59.2 p30 -153.43 166.49 32.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.992 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 mm 65.54 -37.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 O-C-N 123.553 0.533 . . . . 0.0 110.794 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.55 ' H ' ' C ' ' A' ' 2' ' ' ASP . 95.9 mt -105.48 -4.32 21.45 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.608 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 m -61.35 143.66 55.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.915 0.388 . . . . 0.0 110.419 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.37 -25.65 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.395 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -57.9 -56.06 26.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.102 0.477 . . . . 0.0 109.726 179.637 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.609 HE22 ' ND2' ' B' ' 32' ' ' ASN . 91.7 mm-40 -46.91 -42.91 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.267 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.72 -42.6 95.45 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.479 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.0 t -60.36 -50.25 81.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.249 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.71 -49.06 78.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.112 0.482 . . . . 0.0 110.2 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -61.38 -44.33 97.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.943 179.131 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -61.04 -35.93 78.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.395 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -63.29 -50.26 70.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.172 179.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.33 -36.72 64.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.15 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.529 ' CE1' ' OD2' ' A' ' 20' ' ' ASP . 33.2 t80 -63.42 -46.41 86.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.721 179.001 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.45 -39.31 92.77 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.302 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.18 -51.68 65.39 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.721 -179.612 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -58.44 -34.07 70.42 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.072 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.529 ' OD2' ' CE1' ' A' ' 16' ' ' PHE . 46.4 m-20 -97.91 74.04 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -62.53 -19.86 64.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.551 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 23' ' ' GLY . 44.9 p30 -108.02 31.98 5.11 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.682 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 22' ' ' ASP . . . 12.73 57.31 0.01 OUTLIER Glycine 0 N--CA 1.473 1.115 0 O-C-N 124.156 0.91 . . . . 0.0 111.643 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 22' ' ' ASP . 26.1 p-10 -86.37 -24.89 25.63 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.925 0.393 . . . . 0.0 110.418 -179.791 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.67 -24.27 10.42 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 3.7 m -134.27 168.33 19.07 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.392 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.1 mt -112.9 117.62 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.264 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -82.17 -172.88 4.21 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.572 -179.666 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.42 ' H ' HG22 ' A' ' 28' ' ' THR . 61.1 t -82.49 -44.95 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.518 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.56 -44.2 96.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.544 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 46.0 mt-10 -60.25 -47.38 86.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.313 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.776 HD22 HD11 ' A' ' 52' ' ' ILE . 4.2 tp -60.99 -40.02 91.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.19 95.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.236 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.2 m -56.74 -47.1 80.81 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.287 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.53 -44.09 92.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.195 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.74 ' CD1' HD11 ' A' ' 48' ' ' LEU . 86.6 mt -61.91 -42.72 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.42 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -53.7 -41.46 66.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.246 -179.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.7 t -90.58 21.41 4.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.63 179.279 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.45 -2.6 8.45 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 41' ' ' GLN . 8.9 p30 -178.19 -95.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.417 -179.712 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.538 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 3.4 pt20 -131.55 -110.4 0.25 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.974 -179.836 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 0.7 OUTLIER -162.36 93.4 1.27 Allowed Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.447 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -77.73 -171.07 1.08 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.553 2.169 . . . . 0.0 111.88 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.494 HG23 ' H ' ' A' ' 47' ' ' GLU . 4.4 t -87.69 147.08 25.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.545 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -66.23 -18.55 65.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -64.79 -45.34 86.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.814 -179.587 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.494 ' H ' HG23 ' A' ' 44' ' ' THR . 77.6 mm-40 -67.5 -21.24 65.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.622 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.74 HD11 ' CD1' ' A' ' 36' ' ' ILE . 4.0 mm? -77.67 -52.55 8.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.072 179.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -70.77 -27.08 63.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.327 -179.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -69.45 -55.28 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.706 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.5 -39.7 85.19 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.573 -179.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.776 HD11 HD22 ' A' ' 32' ' ' LEU . 6.1 mm -68.71 -20.95 25.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.601 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.7 t -85.88 -32.93 21.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -65.22 -43.28 92.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.714 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.4 t -80.77 -47.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.433 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 60.8 t0 -62.28 99.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.635 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.575 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . -49.17 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.925 -179.597 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 59' ' ' GLY . 53.2 p-10 -67.53 17.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.559 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.575 ' H ' ' C ' ' A' ' 57' ' ' ALA . . . 21.83 61.53 0.02 OUTLIER Glycine 0 C--N 1.346 1.092 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.355 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 62' ' ' THR . 51.3 p30 -97.11 24.65 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.298 -179.048 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.77 14.68 7.78 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.74 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 40.7 p -140.89 152.43 45.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 110.429 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 52' ' ' ILE . 70.0 mt -115.62 133.08 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -99.02 157.75 16.13 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.327 179.438 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -44.11 -47.49 8.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.639 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.0 -37.08 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.051 0.453 . . . . 0.0 110.304 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -73.53 -43.2 60.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.759 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -61.7 -43.52 98.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.039 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.601 ' O ' HD23 ' A' ' 69' ' ' LEU . 2.6 tt -59.63 -48.66 80.79 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.806 -179.734 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.9 m -54.2 -41.57 68.77 Favored 'General case' 0 C--O 1.252 1.233 0 CA-C-O 122.077 0.942 . . . . 0.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.81 -47.59 85.67 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.546 -179.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.3 mmt -81.47 -17.34 49.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.296 179.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -56.15 -29.31 60.58 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.833 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 75' ' ' LYS . 99.0 mttt -64.01 -10.18 20.2 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.437 178.431 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.625 ' O ' ' N ' ' A' ' 77' ' ' LYS . 18.6 pttp 11.75 98.71 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 O-C-N 124.176 0.922 . . . . 0.0 110.972 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.707 HG13 ' H ' ' A' ' 77' ' ' LYS . 0.2 OUTLIER 0.1 -67.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 123.821 0.701 . . . . 0.0 111.095 -179.097 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.707 ' H ' HG13 ' A' ' 76' ' ' VAL . 83.0 tttt 103.02 -73.46 0.0 OUTLIER 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.213 1.571 . . . . 0.0 110.555 179.01 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 79' ' ' THR . 32.9 p-10 -174.07 -43.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.617 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.504 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 69.3 p 52.38 -129.25 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.474 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -75.04 151.31 38.73 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.469 0.652 . . . . 0.0 110.85 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.63 -53.27 23.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.36 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -54.52 -17.76 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -80.36 -57.54 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 179.372 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.517 ' HA ' ' HZ1' ' B' ' 31' ' ' LYS . 5.2 tm-20 -68.77 -36.98 79.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.105 0.478 . . . . 0.0 110.509 -179.828 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.15 -38.23 85.15 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.941 -179.383 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -83.89 -38.99 20.4 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 91' ' ' VAL . 54.5 tp10 -57.15 -44.71 83.7 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -179.709 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.77 -58.53 5.98 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.605 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.515 ' CE1' ' OD2' ' A' ' 93' ' ' ASP . 54.3 t80 -49.64 -41.99 43.92 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.492 179.714 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -62.06 -36.92 83.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 -179.491 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 87' ' ' GLU . 56.2 t -74.55 -56.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.782 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -59.89 -47.38 85.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.126 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.515 ' OD2' ' CE1' ' A' ' 89' ' ' PHE . 5.0 t0 -79.66 55.59 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.651 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -41.28 -61.79 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.348 -178.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -68.85 -1.77 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.595 -178.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 93' ' ' ASP . 88.5 mt-30 43.49 44.29 4.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.433 179.444 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -82.37 -4.75 57.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.611 -179.617 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.08 -7.35 64.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -139.34 144.92 38.45 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.807 0.303 . . . . 0.0 110.286 -179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mt -95.4 119.06 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.122 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.8 t -91.93 150.34 21.08 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.676 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.39 -43.45 54.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.445 -179.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.6 t -58.78 -40.66 84.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.535 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -65.46 -51.72 58.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.222 0.534 . . . . 0.0 110.001 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.15 -25.31 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.318 179.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -80.87 -46.2 15.63 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -52.81 -51.09 62.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' A' ' 109' ' ' MET . 37.2 t -62.56 -62.43 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.925 179.589 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.489 ' C ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -30.01 -75.72 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.929 0.395 . . . . 0.0 110.483 -179.583 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.555 HG23 ' N ' ' A' ' 111' ' ' ASN . 8.7 tp -47.51 -44.12 9.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.611 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.555 ' N ' HG23 ' A' ' 110' ' ' ILE . 4.6 t-20 -49.66 -11.21 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.862 0.363 . . . . 0.0 110.526 -179.65 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' A' ' 110' ' ' ILE . 67.7 mt -98.68 7.62 45.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.662 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 79.62 21.87 65.6 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 110' ' ' ILE . 29.4 tp10 -103.58 127.31 51.02 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.942 0.401 . . . . 0.0 110.202 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -92.56 96.93 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.985 0.421 . . . . 0.0 111.129 -179.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.4 mt -121.07 129.44 53.34 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.765 179.211 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 76.6 p -77.01 167.67 21.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.513 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.12 -24.72 67.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.364 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -67.32 -49.82 62.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.291 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.435 ' OE2' ' NH1' ' B' ' 22' ' ' ARG . 11.9 tm-20 -62.86 -41.87 99.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.151 0.5 . . . . 0.0 110.54 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.8 t -63.32 -43.22 98.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.293 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -64.17 -32.76 74.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.303 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -64.31 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.869 -179.51 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 124' ' ' MET . 3.7 ppp? -56.53 -32.08 64.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.31 -44.25 94.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.368 -179.699 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -70.76 -24.01 62.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.614 -179.465 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -78.57 -52.44 8.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.522 ' HB2' ' HE1' ' B' ' 23' ' ' TRP . . . -57.44 -43.66 84.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.456 -179.618 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.73 107.95 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.268 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.42 -26.43 22.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.624 -179.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -88.72 -6.71 57.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.487 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.21 88.81 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 37.3 p30 -142.1 -21.82 0.7 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.638 0.256 . . . . 0.0 110.691 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 98.6 2.42 57.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -149.3 133.21 17.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.946 0.403 . . . . 0.0 110.565 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.2 t -83.32 124.31 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.46 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.95 159.91 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.587 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -50.84 -41.44 57.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.211 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.68 -51.32 70.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.018 0.437 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.21 -34.6 76.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.024 178.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -61.75 -49.22 77.28 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.299 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.7 t -58.28 -46.42 88.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.135 -179.415 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.73 -29.93 69.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.486 179.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.3 tpt -70.72 -29.34 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.441 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.607 ' O ' ' O ' ' A' ' 146' ' ' MET . 3.7 ttm -91.97 -15.84 27.4 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.228 -179.382 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.607 ' O ' ' O ' ' A' ' 145' ' ' MET . 1.9 mtt -48.69 -154.63 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.657 0.742 . . . . 0.0 110.855 -179.488 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' ' 149' ' ' ARG . 2.0 m -75.86 33.66 0.12 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.583 ' O ' HG12 ' A' ' 148' ' ' VAL . 91.4 t -64.41 0.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.109 0.48 . . . . 0.0 110.619 179.521 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.437 ' H ' ' C ' ' A' ' 147' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.777 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -61.48 -34.05 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.606 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -63.92 -43.51 95.72 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.382 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.435 ' NH1' ' OE2' ' A' ' 120' ' ' GLU . 11.9 mmt85 -63.18 -44.81 94.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.797 0.332 . . . . 0.0 110.501 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.522 ' HE1' ' HB2' ' A' ' 128' ' ' ALA . 2.1 m95 -66.27 -46.42 77.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.211 179.43 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -66.81 -39.94 87.89 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.124 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 39.8 t -61.78 -42.54 99.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.247 179.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.527 ' O ' HG23 ' B' ' 30' ' ' VAL . 4.3 m -60.05 -44.04 94.97 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.29 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.81 -43.42 79.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.894 0.378 . . . . 0.0 110.597 179.684 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -65.88 -45.06 83.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.426 -179.25 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.6 -41.66 92.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.98 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 26' ' ' SER . 25.1 t -59.54 -44.25 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.1 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.517 ' HZ1' ' HA ' ' A' ' 84' ' ' GLU . 35.7 mmtt -64.8 -44.66 89.2 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.687 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.609 ' ND2' HE22 ' A' ' 8' ' ' GLN . 37.9 t30 -65.4 -34.11 77.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.93 179.348 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' B' ' 34' ' ' ALA . 78.7 ttt180 -57.83 -58.67 7.37 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.578 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.504 ' C ' ' H ' ' B' ' 36' ' ' ARG . . . 29.64 44.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.535 0.522 . . . . 0.0 111.036 -179.444 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.431 ' H ' ' HG2' ' B' ' 33' ' ' ARG . 38.5 ttm180 -60.02 -1.22 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.084 -179.301 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' B' ' 34' ' ' ALA . 49.1 mmm-85 -107.49 -4.71 18.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 -179.521 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . 0.475 ' CG ' ' C ' ' B' ' 36' ' ' ARG . 0.4 OUTLIER 62.5 78.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.967 179.314 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -58.39 -37.73 75.88 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.421 -179.127 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 59.4 mmm -67.25 -60.06 2.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.128 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.6 -42.95 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.752 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' B' ' 37' ' ' PHE . 43.6 t -57.14 -44.92 83.84 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.298 -179.353 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.475 ' O ' ' OXT' ' B' ' 43' ' ' LEU . 9.3 t-20 -78.89 -40.89 31.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.376 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.475 ' OXT' ' O ' ' B' ' 42' ' ' ASN . 5.8 tt . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.145 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 179' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 192' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_