data_2m4h_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 2m4h _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.638 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 15.2 m-85 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 108.063 -1.088 . . . . 1.02 108.063 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.531 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 13.7 ttp180 -163.34 144.2 9.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.499 0.499 . . . . 2.3700000000000001 110.329 165.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.4 -32.39 2.58 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.087 -0.578 . . . . 1.3899999999999999 113.627 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.638 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -80.21 44.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.483 0.549 . . . . 2.3700000000000001 112.483 -175.606 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.05 28.1 73.49 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.245 -0.979 . . . . 1.05 111.058 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.592 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -46.79 130.47 3.3 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.688 0 N-CA-C 113.674 0.99 . . . . 1.0800000000000001 113.674 -175.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.54 -19.03 13.8 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 113.702 -1.59 . . . . 1.1399999999999999 109.409 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.798 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 63.33 171.02 0.16 Allowed 'General case' 0 CA--C 1.545 0.766 0 O-C-N 123.964 0.79 . . . . 1.8100000000000001 109.492 173.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.56 ' N ' HD11 ' A' ' 19' ' ' LEU . 5.1 t -60.22 162.84 5.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.094 -1.004 . . . . 1.22 110.398 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.28 -50.6 72.99 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.282 0.475 . . . . 2.1499999999999999 112.282 -167.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.78 -64.55 0.86 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.413 -0.358 . . . . 2.0499999999999998 111.766 -174.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.798 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 26.2 mm-40 -46.95 -36.58 7.83 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.475 1.287 . . . . 2.0099999999999998 114.475 -173.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.691 ' CE2' HG23 ' A' ' 40' ' ' VAL . 39.1 t80 -65.16 -54.11 34.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.323 -0.621 . . . . 0.92000000000000004 109.323 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -42.78 70.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.563 -0.744 . . . . 1.8 111.111 170.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.536 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 17.7 mm-40 -70.52 -18.79 62.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.998 -0.547 . . . . 1.27 111.374 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.647 ' CD2' HG21 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -67.03 -36.85 83.02 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.054 0.454 . . . . 0.19 109.83 174.195 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -62.47 -31.23 71.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.456 -0.793 . . . . 3.0699999999999998 109.225 175.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.06 -41.64 58.56 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.643 -0.708 . . . . 0.96999999999999997 110.541 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.406 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 10.7 t-160 -51.54 -43.26 62.28 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.344 -0.389 . . . . 0.19 110.263 173.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.599 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 5.2 t30 -55.51 -48.03 75.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.698 -0.683 . . . . 2.04 110.152 177.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.31 -59.63 3.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.002 -0.999 . . . . 1.0600000000000001 112.004 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 t -61.0 -43.91 98.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.679 0.622 . . . . 0.34000000000000002 112.679 -172.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -84.75 3.9 35.31 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.667 -0.413 . . . . 1.3899999999999999 111.686 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp 60.24 26.62 16.09 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.784 -0.643 . . . . 1.8700000000000001 111.487 170.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.599 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -109.54 -170.82 1.72 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.562 -0.744 . . . . 1.0700000000000001 109.95 178.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.485 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 27.2 t70 -143.15 66.26 1.32 Allowed 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.298 -1.371 . . . . 1.0 107.298 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.55 151.21 20.89 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.414 -1.266 . . . . 1.1599999999999999 110.425 -169.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -85.24 166.84 16.19 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.097 -0.501 . . . . 0.83999999999999997 109.771 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.691 HG23 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.26 -42.86 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 120.796 -0.362 . . . . 1.0800000000000001 110.627 -173.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.631 ' O ' ' HG3' ' A' ' 45' ' ' MET . 37.4 mt-10 -45.89 -53.72 9.37 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 123.951 0.782 . . . . 0.81999999999999995 110.696 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.508 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 10.5 m-20 -54.04 -45.64 71.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.808 -0.633 . . . . 0.66000000000000003 111.562 177.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.453 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 17.3 t80 -58.92 -53.68 55.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.216 0.531 . . . . 0.32000000000000001 109.882 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 2.6 mt -53.9 -35.24 61.4 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 114.605 -1.18 . . . . 1.0600000000000001 109.947 -177.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.631 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 83.3 mtp -64.6 -57.8 8.09 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.592 0.557 . . . . 1.9099999999999999 110.607 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 29.5 mt -47.0 -51.49 17.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.421 -0.808 . . . . 1.0600000000000001 111.435 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -71.49 -44.22 65.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.318 -0.401 . . . . 2.6899999999999999 111.365 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.842 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -44.24 -60.05 2.08 Favored 'General case' 0 C--O 1.215 -0.761 0 O-C-N 123.489 0.493 . . . . 0.64000000000000001 110.596 173.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 45' ' ' MET . 11.6 mtt180 -59.62 -48.36 81.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.935 0.398 . . . . 0.92000000000000004 111.037 -175.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.63 -56.76 17.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 1.1899999999999999 111.148 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.59 -49.26 78.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.768 -0.651 . . . . 1.25 112.724 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.842 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 16.4 mt -77.9 -72.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.638 -0.425 . . . . 1.0900000000000001 110.499 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.44 43.38 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.051 -1.071 . . . . 0.55000000000000004 113.279 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -122.61 140.76 52.46 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.364 -0.606 . . . . 1.0800000000000001 109.364 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.54 45.18 2.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.64 0.607 . . . . 1.9299999999999999 112.64 -170.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -67.9 128.12 35.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.758 -0.46 . . . . 0.93000000000000005 109.758 170.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.572 ' O ' HG21 ' A' ' 60' ' ' VAL . 5.4 p-10 -44.61 -40.11 5.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 115.19 1.552 . . . . 0.71999999999999997 115.19 -170.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -61.45 -42.46 98.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.929 0.871 . . . . 2.3100000000000001 108.759 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.02 -35.34 80.31 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.841 -1.527 . . . . 1.03 111.779 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 57' ' ' ASN . 2.8 m -76.24 -38.81 34.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 119.945 -0.702 . . . . 1.0700000000000001 110.249 -176.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -69.01 -30.26 68.61 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.226 -0.443 . . . . 2.3399999999999999 110.251 176.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.418 ' CG ' ' HB3' ' A' ' 46' ' ' LEU . 73.0 t80 -63.03 -53.94 46.0 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.803 -0.814 . . . . 0.20999999999999999 108.803 171.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.508 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.3 tmt_? -47.54 -61.07 2.1 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.905 -1.043 . . . . 1.8899999999999999 111.096 176.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.508 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 55.7 m -47.8 -52.27 19.45 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.675 0.62 . . . . 1.77 112.675 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.556 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 10.8 t90 -65.13 -51.91 58.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.753 0.311 . . . . 0.28000000000000003 111.362 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.536 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 7.4 t-105 -72.23 -23.51 61.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.46000000000000002 111.566 -172.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 19.5 m-80 -94.15 -1.28 54.47 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 112.14 0.422 . . . . 0.51000000000000001 112.14 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.4 m -93.92 -17.11 23.34 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.971 0.891 . . . . 1.4299999999999999 108.725 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 9.4 ptm180 -114.09 -58.14 2.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.4 -1.273 . . . . 2.2200000000000002 111.528 -172.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 m -106.07 -60.73 1.6 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.808 -1.087 . . . . 1.0900000000000001 111.844 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.483 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.1 mtpt 76.25 24.67 1.09 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 114.426 -1.261 . . . . 1.74 109.453 -173.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.688 ' HB3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.424 0 CA-C-O 123.935 1.826 . . . . 1.71 115.465 170.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.613 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.779 -0.452 . . . . 1.02 109.779 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -159.46 140.8 12.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.926 -0.579 . . . . 2.3700000000000001 109.693 167.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.87 -34.01 2.81 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.943 -0.646 . . . . 1.3899999999999999 113.797 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.613 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -78.33 47.68 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.772 0.656 . . . . 2.3700000000000001 112.772 -175.403 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.89 26.66 73.84 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.217 -0.992 . . . . 1.05 111.248 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.573 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -49.3 131.5 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.65 0 N-CA-C 113.66 0.985 . . . . 1.0800000000000001 113.66 -176.85 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.13 -8.67 14.4 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 113.506 -1.679 . . . . 1.1399999999999999 108.79 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.6 HD23 ' CD2' ' A' ' 44' ' ' LEU . 49.0 tp 58.74 -179.44 0.07 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.701 -1.136 . . . . 1.8100000000000001 111.016 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.582 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 1.1 t -65.64 167.6 8.83 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.327 -0.62 . . . . 1.22 109.327 172.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.79 -58.92 5.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.099 0.778 . . . . 2.1499999999999999 113.099 -164.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.86 -48.85 19.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.776 0.322 . . . . 2.0499999999999998 111.208 -171.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.48 ' HB2' HG23 ' A' ' 20' ' ' THR . 7.3 mp0 -46.73 -42.36 16.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.094 -0.957 . . . . 2.0099999999999998 112.826 -177.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.738 ' CE2' HG23 ' A' ' 40' ' ' VAL . 36.1 t80 -66.32 -57.93 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.92000000000000004 110.36 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -52.51 -40.04 61.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.575 0.702 . . . . 1.8 111.082 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -77.6 -17.01 58.23 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 122.059 -0.4 . . . . 1.27 110.97 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CD2' HG21 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -62.4 -33.58 75.05 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.297 -0.631 . . . . 0.19 109.297 168.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 56.7 mtm180 -63.08 -30.83 71.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.498 -0.773 . . . . 3.0699999999999998 109.027 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' OE2' ' HB2' ' A' ' 32' ' ' ALA . 16.5 tp10 -76.67 -35.21 58.1 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.96999999999999997 111.552 169.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -54.28 -40.93 68.3 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.888 -0.782 . . . . 0.19 108.888 173.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.581 ' ND2' ' HA ' ' A' ' 37' ' ' ASP . 25.0 t-20 -53.22 -49.51 66.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.304 -0.862 . . . . 2.04 110.236 172.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.464 ' HB2' ' OE2' ' A' ' 29' ' ' GLU . . . -68.23 -60.1 2.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.92 -1.036 . . . . 1.0600000000000001 112.36 -177.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.1 t -59.89 -36.68 77.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.653 -0.703 . . . . 0.34000000000000002 112.816 -172.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.46 ' HD3' ' CD2' ' A' ' 65' ' ' TRP . 21.7 mmm180 -97.94 4.65 49.46 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.263 -0.575 . . . . 1.3899999999999999 111.991 -175.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 59.82 24.16 13.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.148 0.499 . . . . 1.8700000000000001 111.873 173.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.564 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -104.7 -173.4 2.3 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.754 -0.657 . . . . 1.0700000000000001 109.235 176.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.581 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 31.4 t70 -139.18 32.29 2.14 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 122.248 1.023 . . . . 1.0 108.389 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.45 148.38 33.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.723 -1.58 . . . . 1.1599999999999999 111.432 -175.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -86.79 172.31 10.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.873 -0.603 . . . . 0.83999999999999997 109.528 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.738 HG23 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -67.36 -42.55 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 120.311 -0.556 . . . . 1.0800000000000001 111.473 -171.479 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 45' ' ' MET . 31.4 mt-10 -48.94 -51.57 29.49 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.448 0.468 . . . . 0.81999999999999995 110.171 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.7 m-20 -53.89 -42.66 68.91 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.787 -0.642 . . . . 0.66000000000000003 112.065 176.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.522 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 46.8 t80 -61.31 -52.14 65.94 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.304 0.573 . . . . 0.32000000000000001 109.584 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.6 ' CD2' HD23 ' A' ' 19' ' ' LEU . 2.2 mt -55.75 -34.36 65.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.239 -1.346 . . . . 1.0600000000000001 109.491 -175.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.6 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 79.1 mtp -62.93 -60.13 3.88 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.374 0.421 . . . . 1.9099999999999999 111.284 173.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 20.5 mt -49.38 -52.03 31.04 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.644 -0.707 . . . . 1.0600000000000001 111.77 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.437 ' C ' ' HE ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -66.93 -41.57 86.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.068 -0.515 . . . . 2.6899999999999999 109.828 -178.588 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.893 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -48.76 -65.16 0.61 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.83 -0.623 . . . . 0.64000000000000001 110.591 173.357 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.464 ' HB3' ' HB2' ' A' ' 54' ' ' ALA . 6.4 mtt180 -57.4 -52.35 65.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.349 0.595 . . . . 0.92000000000000004 109.977 -172.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.58 18.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.473 -1.239 . . . . 1.1899999999999999 111.46 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' HB1' HH21 ' A' ' 47' ' ' ARG . . . -65.94 -36.75 84.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.021 0.748 . . . . 1.25 113.021 -178.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.893 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 19.7 mt -80.59 -71.79 0.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.554 -0.458 . . . . 1.0900000000000001 110.904 -174.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.06 43.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.612 -0.804 . . . . 0.55000000000000004 112.509 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -128.89 140.65 51.59 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.471 -0.566 . . . . 1.0800000000000001 109.471 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -121.85 44.23 2.63 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.085 0.402 . . . . 1.9299999999999999 112.085 -171.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 60' ' ' VAL . 8.2 t70 -69.79 134.89 49.05 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.154 -0.684 . . . . 0.93000000000000005 109.154 171.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.542 ' O ' HG21 ' A' ' 60' ' ' VAL . 2.9 p-10 -44.9 -43.95 9.29 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 115.709 1.744 . . . . 0.71999999999999997 115.709 -169.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.429 ' C ' HD21 ' A' ' 46' ' ' LEU . 19.2 p30 -62.07 -39.27 91.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.93 0.871 . . . . 2.3100000000000001 109.321 -177.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.404 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -69.23 -30.47 68.63 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 113.83 -1.532 . . . . 1.03 112.357 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.542 HG21 ' O ' ' A' ' 57' ' ' ASN . 2.6 m -79.46 -35.79 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 119.574 -0.851 . . . . 1.0700000000000001 109.987 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.407 ' HA ' ' HG ' ' A' ' 64' ' ' SER . 15.2 mtpp -70.51 -24.46 62.83 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 121.445 0.64 . . . . 2.3399999999999999 109.778 174.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -67.99 -59.2 3.45 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.424 -0.954 . . . . 0.20999999999999999 108.424 169.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -60.75 2.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.022 -0.99 . . . . 1.8899999999999999 112.394 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.407 ' HG ' ' HA ' ' A' ' 61' ' ' LYS . 11.6 p -44.32 -54.75 5.5 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.47 0.915 . . . . 1.77 113.47 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.562 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 2.7 t90 -74.17 -48.08 31.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.765 0.316 . . . . 0.28000000000000003 111.642 -178.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.662 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 69.1 t-105 -65.86 -36.19 82.75 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 122.899 0.48 . . . . 0.46000000000000002 111.463 -171.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -84.48 1.24 46.5 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.424 0.631 . . . . 0.51000000000000001 110.888 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.1 t -95.23 -20.34 19.29 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.909 0.861 . . . . 1.4299999999999999 108.885 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 2.0 ptm180 -116.46 -62.41 1.59 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.247 -1.342 . . . . 2.2200000000000002 111.402 -172.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.535 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 6.2 m -96.61 -64.8 1.01 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.061 -0.972 . . . . 1.0900000000000001 111.654 -172.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.596 ' C ' ' HG3' ' A' ' 72' ' ' MET . 48.5 mtpt 77.63 1.89 2.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 114.637 -1.165 . . . . 1.74 111.963 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.662 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 115.14 1.533 . . . . 1.71 115.14 166.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.516 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 1.5 m-85 . . . . . 0 CA--C 1.518 -0.279 0 N-CA-C 110.07 -0.344 . . . . 1.02 110.07 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -161.97 146.6 12.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 2.3700000000000001 109.089 167.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.62 52.02 53.71 Favored Glycine 0 CA--C 1.517 0.202 0 C-N-CA 120.822 -0.704 . . . . 1.3899999999999999 113.028 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.516 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -162.44 37.91 0.11 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.209 0.528 . . . . 2.3700000000000001 111.127 179.458 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.06 28.8 67.78 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.656 -0.978 . . . . 1.05 110.656 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.485 HG23 HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -53.68 128.76 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 N-CA-C 113.536 0.939 . . . . 1.0800000000000001 113.536 -176.265 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.04 -8.78 15.77 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 113.762 -1.563 . . . . 1.1399999999999999 108.821 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.725 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.2 tm? 59.47 177.24 0.08 Allowed 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.946 -1.025 . . . . 1.8100000000000001 109.073 176.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.675 ' N ' HD13 ' A' ' 19' ' ' LEU . 14.0 t -66.1 172.37 3.84 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.61 -1.306 . . . . 1.22 110.198 172.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -59.9 -58.17 9.69 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 112.788 0.662 . . . . 2.1499999999999999 112.788 -170.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.92 -62.71 1.35 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.972 0.36 . . . . 2.0499999999999998 111.972 -172.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.725 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 58.7 mt-10 -56.58 -29.6 62.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.697 1.369 . . . . 2.0099999999999998 114.697 -167.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.824 ' CE2' HG21 ' A' ' 40' ' ' VAL . 35.9 t80 -65.79 -58.13 6.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 118.664 0.665 . . . . 0.92000000000000004 109.781 177.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -52.76 -43.49 65.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.635 0.731 . . . . 1.8 111.024 171.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.608 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 32.7 mm-40 -69.07 -22.06 64.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.5 -0.773 . . . . 1.27 111.931 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.57 ' CD2' HG22 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.18 -36.49 84.23 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.233 0.54 . . . . 0.19 109.561 174.585 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 -63.32 -31.23 72.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.131 -0.94 . . . . 3.0699999999999998 109.456 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -75.76 -39.91 56.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.177 -0.465 . . . . 0.96999999999999997 110.75 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -50.49 -37.95 41.45 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 110.193 -0.299 . . . . 0.19 110.193 172.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.555 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 26.1 t-20 -56.4 -51.79 67.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.017 -0.538 . . . . 2.04 109.974 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.73 -61.4 2.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.281 -0.872 . . . . 1.0600000000000001 112.246 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.1 t -58.91 -40.93 85.97 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.99 0.737 . . . . 0.34000000000000002 112.99 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -91.28 -0.65 57.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.576 0.584 . . . . 1.3899999999999999 112.576 -175.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.05 56.99 4.87 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.141 -0.936 . . . . 1.8700000000000001 110.883 174.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.555 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -139.25 -174.24 3.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.523 -0.917 . . . . 1.0700000000000001 108.523 -176.435 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -137.1 37.82 2.55 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.064 -1.087 . . . . 1.0 108.064 -176.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.26 149.25 48.73 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.158 -1.383 . . . . 1.1599999999999999 110.963 -175.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m -86.97 175.42 8.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.066 -0.516 . . . . 0.83999999999999997 109.693 175.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.824 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -67.5 -46.47 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 120.219 -0.592 . . . . 1.0800000000000001 110.148 -176.177 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.62 ' O ' ' HG3' ' A' ' 45' ' ' MET . 30.2 mt-10 -50.46 -43.81 55.44 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 123.615 0.572 . . . . 0.81999999999999995 110.061 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.505 ' HA ' ' HE2' ' A' ' 45' ' ' MET . 20.9 m-20 -59.17 -42.41 90.71 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.356 -0.384 . . . . 0.66000000000000003 111.598 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.501 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 9.0 t80 -60.12 -51.89 67.7 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.597 0.713 . . . . 0.32000000000000001 109.079 175.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 2.6 mt -59.53 -25.82 64.83 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.152 -1.385 . . . . 1.0600000000000001 110.085 -174.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.62 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 25.5 mtm -66.45 -60.02 3.13 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.306 0.575 . . . . 1.9099999999999999 110.602 172.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 19.5 mt -52.64 -52.94 53.31 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 114.84 -1.073 . . . . 1.0600000000000001 110.705 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.497 ' HG3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -61.24 -50.69 72.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.097 -0.956 . . . . 2.6899999999999999 111.047 178.439 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.867 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.32 -61.12 0.82 Allowed 'General case' 0 C--O 1.217 -0.658 0 O-C-N 123.526 0.516 . . . . 0.64000000000000001 110.939 172.612 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' A' ' 45' ' ' MET . 32.4 mtt-85 -63.37 -32.14 73.49 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.872 0.368 . . . . 0.92000000000000004 110.598 -170.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.62 -58.49 4.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.154 -0.475 . . . . 1.1899999999999999 110.91 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.94 -47.43 74.47 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.403 0.52 . . . . 1.25 112.403 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.867 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 12.4 mt -75.56 -69.25 0.5 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 1.0900000000000001 110.371 -174.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.23 42.08 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.119 -1.038 . . . . 0.55000000000000004 113.63 172.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -113.07 140.97 47.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.219 0.509 . . . . 1.0800000000000001 110.563 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.48 43.84 1.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 1.9299999999999999 111.676 -174.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 2.8 t70 -67.11 120.03 13.02 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.723 -0.843 . . . . 0.93000000000000005 108.723 169.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.549 ' O ' HG23 ' A' ' 60' ' ' VAL . 3.4 p-10 -39.99 -42.13 1.32 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 115.323 1.601 . . . . 0.71999999999999997 115.323 -172.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.409 ' C ' HD21 ' A' ' 46' ' ' LEU . 28.4 m-20 -60.09 -41.34 92.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.948 0.88 . . . . 2.3100000000000001 109.112 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -70.73 -34.01 71.44 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.017 -1.447 . . . . 1.03 111.832 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 57' ' ' ASN . 3.1 m -74.93 -37.81 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 119.92 -0.712 . . . . 1.0700000000000001 110.136 -175.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -68.5 -35.23 77.22 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.291 -0.413 . . . . 2.3399999999999999 110.064 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.446 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 73.3 t80 -58.86 -57.37 13.34 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 109.088 -0.708 . . . . 0.20999999999999999 109.088 172.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -46.1 -59.63 2.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.428 -0.805 . . . . 1.8899999999999999 110.77 174.358 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.6 t -41.5 -57.98 2.05 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.994 0.809 . . . . 1.77 112.114 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.496 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 11.6 t90 -68.81 -49.72 56.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.899 0.381 . . . . 0.28000000000000003 111.921 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.608 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 21.9 t-105 -72.9 -24.92 60.9 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.256 -0.429 . . . . 0.46000000000000002 111.649 -169.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 23.2 m-80 -94.6 4.25 54.07 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.366 0.603 . . . . 0.51000000000000001 110.862 -177.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -92.39 -21.27 20.31 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.507 0.67 . . . . 1.4299999999999999 109.277 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.05 -65.09 1.22 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.901 -1.045 . . . . 2.2200000000000002 110.766 -173.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 72' ' ' MET . 25.9 m -92.03 -58.74 2.3 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.562 -1.199 . . . . 1.0900000000000001 111.808 -175.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.585 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.0 mtpt 73.16 22.8 2.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 124.609 1.193 . . . . 1.74 109.984 -172.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.585 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.682 0 CA-C-N 113.629 -1.623 . . . . 1.71 115.155 170.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.555 ' CB ' ' HD3' ' A' ' 15' ' ' ARG . 1.0 OUTLIER . . . . . 0 CA--C 1.514 -0.439 0 CA-C-O 121.591 0.71 . . . . 1.02 111.06 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.465 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 9.5 ttp180 -165.23 145.91 7.22 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 113.883 -1.508 . . . . 2.3700000000000001 108.05 172.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.42 58.25 2.95 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 119.62 -1.276 . . . . 1.3899999999999999 113.821 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.555 ' HD3' ' CB ' ' A' ' 12' ' ' TYR . 11.7 ptm180 -179.31 33.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.957 0.378 . . . . 2.3700000000000001 111.133 -177.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.03 31.07 71.55 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.062 -1.215 . . . . 1.05 110.062 -172.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.484 HG22 HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -41.4 128.18 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.762 0 CA-C-N 114.399 -0.901 . . . . 1.0800000000000001 112.964 -176.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.96 -14.37 29.61 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.338 -1.301 . . . . 1.1399999999999999 109.509 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.793 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 2.5 tm? 60.86 -172.35 0.14 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 107.824 -1.176 . . . . 1.8100000000000001 107.824 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.594 ' N ' HD11 ' A' ' 19' ' ' LEU . 2.5 t -70.71 162.81 28.37 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 120.833 -1.167 . . . . 1.22 108.925 166.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -58.08 -57.9 10.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.161 0.801 . . . . 2.1499999999999999 113.161 -168.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.92 -58.05 4.31 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.851 0.315 . . . . 2.0499999999999998 111.851 -170.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.793 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 11.3 mm-40 -46.6 -38.4 9.52 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.017 1.117 . . . . 2.0099999999999998 114.017 -175.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.634 ' CE2' HG21 ' A' ' 40' ' ' VAL . 39.1 t80 -61.04 -59.34 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.18 0.514 . . . . 0.92000000000000004 110.477 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -51.62 -40.72 60.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 1.8 110.599 171.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.602 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 13.0 mm-40 -67.89 -21.63 65.14 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.504 -0.771 . . . . 1.27 112.078 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CD2' HG22 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -64.4 -37.65 88.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.653 -0.499 . . . . 0.19 109.653 174.052 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -60.76 -35.22 75.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.467 -0.788 . . . . 3.0699999999999998 109.441 176.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.33 -36.92 63.69 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.068 -0.515 . . . . 0.96999999999999997 110.683 173.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.437 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.0 t-160 -52.68 -40.24 62.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.475 -0.33 . . . . 0.19 110.473 173.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.44 ' HA ' HD11 ' A' ' 36' ' ' LEU . 8.4 m120 -53.5 -50.84 64.53 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.573 0.546 . . . . 2.04 109.844 173.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.04 -60.65 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.137 -0.938 . . . . 1.0600000000000001 112.392 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.406 ' HB3' ' CZ2' ' A' ' 65' ' ' TRP . 30.4 t -59.94 -38.82 83.52 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.794 0.664 . . . . 0.34000000000000002 112.794 -170.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.458 HH11 ' HB2' ' A' ' 65' ' ' TRP . 8.1 mmm180 -91.64 4.14 53.39 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.324 -0.55 . . . . 1.3899999999999999 111.539 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 54.69 42.11 31.45 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.169 -0.923 . . . . 1.8700000000000001 111.769 174.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.46 HD13 HD21 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -129.62 -175.78 3.7 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.168 -0.679 . . . . 1.0700000000000001 109.168 -177.049 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -141.45 105.47 4.77 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.46 HD21 HD13 ' A' ' 36' ' ' LEU . 2.3 pt? -136.21 155.67 49.79 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.815 -0.629 . . . . 1.1599999999999999 109.98 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.8 m -89.75 167.51 12.82 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.003 -0.999 . . . . 0.83999999999999997 109.302 175.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.634 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -61.03 -44.07 97.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.705 -0.398 . . . . 1.0800000000000001 110.852 -169.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 45' ' ' MET . 35.0 mt-10 -44.49 -53.6 6.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.838 0.711 . . . . 0.81999999999999995 111.015 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.516 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.3 m-20 -58.42 -42.15 86.58 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.412 -0.358 . . . . 0.66000000000000003 111.889 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.554 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 18.6 t80 -59.02 -53.87 53.52 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.19 -0.67 . . . . 0.32000000000000001 109.19 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 1.9 mt -53.9 -33.56 56.94 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 114.175 -1.375 . . . . 1.0600000000000001 110.004 -178.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.578 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 91.8 mtp -66.3 -56.26 12.03 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.336 0.397 . . . . 1.9099999999999999 110.775 174.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 31.5 mt -46.78 -51.12 17.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.754 -0.657 . . . . 1.0600000000000001 111.633 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.584 ' NH2' ' HG3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -69.29 -46.3 67.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.23 -0.441 . . . . 2.6899999999999999 110.666 178.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.884 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -45.09 -62.84 1.09 Allowed 'General case' 0 C--O 1.214 -0.794 0 O-C-N 123.963 0.79 . . . . 0.64000000000000001 111.07 177.031 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 45' ' ' MET . 13.3 mtt180 -53.03 -52.71 57.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.86 0.362 . . . . 0.92000000000000004 110.716 -174.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.07 -55.95 17.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.232 -0.895 . . . . 1.1899999999999999 111.61 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.96 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.592 0.757 . . . . 1.25 112.577 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.884 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -89.22 -73.16 0.52 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.389 -0.369 . . . . 1.0900000000000001 110.762 -171.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.07 36.88 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.992 -1.099 . . . . 0.55000000000000004 113.416 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -121.42 138.1 54.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.28 0.54 . . . . 1.0800000000000001 110.333 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.4 49.12 1.31 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.274 -0.421 . . . . 1.9299999999999999 111.498 -173.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.99 130.33 41.87 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.193 -0.669 . . . . 0.93000000000000005 109.193 171.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.572 ' O ' HG23 ' A' ' 60' ' ' VAL . 4.5 p-10 -46.06 -37.8 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 115.255 1.576 . . . . 0.71999999999999997 115.255 -169.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -43.1 99.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 119.011 0.823 . . . . 2.3100000000000001 109.223 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.93 -35.83 81.7 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 113.954 -1.475 . . . . 1.03 111.556 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 57' ' ' ASN . 2.8 m -75.9 -38.2 35.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.951 -0.699 . . . . 1.0700000000000001 110.537 -176.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -70.37 -24.02 62.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.225 0.536 . . . . 2.3399999999999999 110.25 176.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.409 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 82.5 t80 -67.75 -54.19 21.26 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.888 -0.782 . . . . 0.20999999999999999 108.888 169.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.426 ' HD3' ' N ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -51.85 -60.79 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.216 -0.902 . . . . 1.8899999999999999 111.307 177.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.426 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 49.8 m -48.17 -37.31 15.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.221 0.823 . . . . 1.77 113.221 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.458 ' HB2' HH11 ' A' ' 34' ' ' ARG . 8.9 t90 -82.19 -53.16 6.29 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.137 -0.352 . . . . 0.28000000000000003 111.109 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.664 ' CD1' ' HB3' ' A' ' 72' ' ' MET . 11.7 t-105 -68.06 -25.98 65.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.02 -0.536 . . . . 0.46000000000000002 111.378 -170.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.554 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 25.5 m-80 -94.42 1.43 55.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.51000000000000001 111.747 -176.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 66.0 m -93.82 -18.12 22.36 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.696 0.76 . . . . 1.4299999999999999 109.379 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.02 -69.77 0.84 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.672 -1.149 . . . . 2.2200000000000002 110.377 -174.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 72' ' ' MET . 27.2 m -85.2 -56.96 3.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.3 -1.318 . . . . 1.0900000000000001 111.844 -176.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.596 ' C ' ' HG3' ' A' ' 72' ' ' MET . 31.3 mtpt 74.7 21.49 2.16 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 114.53 -1.214 . . . . 1.74 109.454 -171.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.664 ' HB3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.292 0 CA-C-N 113.01 -1.905 . . . . 1.71 115.478 168.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.685 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 4.5 m-85 . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 108.958 -0.756 . . . . 1.02 108.958 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -169.48 115.84 0.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.412 0.445 . . . . 2.3700000000000001 109.981 172.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.447 ' HA2' ' OE1' ' A' ' 41' ' ' GLU . . . 112.01 -45.14 1.36 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.383 -0.913 . . . . 1.3899999999999999 113.009 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.685 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -78.64 54.55 1.51 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.807 0.669 . . . . 2.3700000000000001 112.807 -172.416 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.28 30.52 76.87 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.009 -1.091 . . . . 1.05 111.375 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -54.72 132.11 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.655 0 CA-C-O 122.253 1.025 . . . . 1.0800000000000001 113.587 -176.197 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.47 -13.92 15.88 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 113.452 -1.704 . . . . 1.1399999999999999 109.253 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.743 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.3 tm? 62.77 178.27 0.14 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.109 0.881 . . . . 1.8100000000000001 108.913 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.627 ' O ' HD13 ' A' ' 19' ' ' LEU . 4.3 t -68.67 177.65 2.41 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.821 -1.175 . . . . 1.22 109.351 170.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.96 -53.56 30.54 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 121.852 -0.53 . . . . 2.1499999999999999 112.214 -172.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.74 -62.83 1.24 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.46 0.541 . . . . 2.0499999999999998 112.46 -171.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.743 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 22.0 mm-40 -48.21 -32.93 7.78 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.754 1.02 . . . . 2.0099999999999998 113.754 -173.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.675 ' N ' HD11 ' A' ' 19' ' ' LEU . 30.7 t80 -67.1 -56.01 11.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.01 0.433 . . . . 0.92000000000000004 109.854 -179.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -52.06 -44.57 64.34 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.69 0.757 . . . . 1.8 110.766 170.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.64 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.6 mm-40 -70.67 -18.95 62.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.588 -0.733 . . . . 1.27 111.786 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.664 ' CD2' HG21 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -65.87 -38.26 88.34 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 120.998 0.427 . . . . 0.19 110.012 173.52 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -60.72 -32.81 72.05 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.312 -0.858 . . . . 3.0699999999999998 109.107 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -77.87 -39.24 43.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.764 -0.653 . . . . 0.96999999999999997 111.082 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.426 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 10.1 t-160 -50.39 -41.43 52.02 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.631 0.253 . . . . 0.19 110.438 172.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.494 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 9.7 t30 -57.27 -48.08 79.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.776 -0.647 . . . . 2.04 110.11 176.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.48 -61.22 1.92 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.894 -1.048 . . . . 1.0600000000000001 112.368 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.2 t -56.57 -44.98 81.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.621 0.6 . . . . 0.34000000000000002 112.621 -173.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -84.53 -2.07 56.78 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.845 -0.342 . . . . 1.3899999999999999 111.3 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 58.92 31.44 21.32 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.634 -0.712 . . . . 1.8700000000000001 111.63 173.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.519 HD13 HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -109.32 -169.22 1.44 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.833 -0.621 . . . . 1.0700000000000001 110.342 -179.136 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -141.26 103.17 4.38 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.821 -0.807 . . . . 1.0 108.821 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.519 HD21 HD13 ' A' ' 36' ' ' LEU . 1.5 pt? -137.22 161.5 36.02 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.584 0.707 . . . . 1.1599999999999999 110.895 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -102.47 154.12 19.4 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.769 -1.197 . . . . 0.83999999999999997 107.769 171.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.664 HG21 ' CD2' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -45.28 -39.62 2.37 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 113.051 0.76 . . . . 1.0800000000000001 113.051 -171.704 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.651 ' O ' ' HG3' ' A' ' 45' ' ' MET . 22.2 mt-10 -48.92 -55.28 12.26 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.342 0.401 . . . . 0.81999999999999995 111.102 -179.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.575 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 9.9 m-20 -57.98 -34.3 69.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.617 -0.265 . . . . 0.66000000000000003 111.38 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.501 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 6.7 t80 -63.5 -53.26 54.72 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.157 -0.683 . . . . 0.32000000000000001 109.157 173.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 3.5 mt -57.01 -30.12 63.92 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 114.454 -1.248 . . . . 1.0600000000000001 110.024 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.651 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 72.4 mtp -65.74 -58.23 6.16 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.973 0.795 . . . . 1.9099999999999999 110.509 174.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 24.2 mt -50.56 -54.5 22.04 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.82 -0.627 . . . . 1.0600000000000001 111.056 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -58.83 -51.34 70.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.485 -0.78 . . . . 2.6899999999999999 110.801 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.858 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -41.36 -62.72 0.81 Allowed 'General case' 0 C--O 1.213 -0.82 0 O-C-N 123.783 0.677 . . . . 0.64000000000000001 111.324 174.142 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 45' ' ' MET . 16.8 mtt180 -57.26 -42.32 81.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.723 0.297 . . . . 0.92000000000000004 110.954 -170.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.55 -55.67 28.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.861 -0.609 . . . . 1.1899999999999999 110.868 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.43 -40.9 79.39 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.612 0.597 . . . . 1.25 112.612 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.858 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.0 mt -82.99 -77.04 0.25 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.431 -0.35 . . . . 1.0900000000000001 110.603 -174.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.06 16.23 0.02 OUTLIER Glycine 0 CA--C 1.522 0.503 0 C-N-CA 119.838 -1.172 . . . . 0.55000000000000004 114.023 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -95.27 134.48 37.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.678 0.739 . . . . 1.0800000000000001 111.123 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -109.41 47.83 0.91 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.682 -0.69 . . . . 1.9299999999999999 111.36 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.404 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 14.4 t70 -69.88 122.38 19.15 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.005 -0.739 . . . . 0.93000000000000005 109.005 169.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.477 ' O ' HG22 ' A' ' 60' ' ' VAL . 4.4 p-10 -38.55 -42.48 0.77 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 115.752 1.76 . . . . 0.71999999999999997 115.752 -173.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.403 ' C ' HD22 ' A' ' 46' ' ' LEU . 26.9 m-20 -61.94 -38.54 88.87 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.38 0.991 . . . . 2.3100000000000001 109.196 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.3 -33.49 67.43 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.506 -1.225 . . . . 1.03 111.425 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.2 m -76.84 -36.68 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 119.922 -0.711 . . . . 1.0700000000000001 110.093 -176.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -71.43 -30.54 66.18 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.245 -0.434 . . . . 2.3399999999999999 109.846 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -60.41 -57.61 12.05 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.781 -0.822 . . . . 0.20999999999999999 108.781 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.6 tmt_? -48.22 -60.76 2.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.383 -0.826 . . . . 1.8899999999999999 110.948 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.415 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 49.9 m -42.49 -56.59 2.99 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.844 0.715 . . . . 1.77 112.555 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.477 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 7.7 t90 -66.88 -49.46 65.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.699 0.285 . . . . 0.28000000000000003 111.513 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.64 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 8.5 t-105 -70.98 -24.28 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.356 -0.384 . . . . 0.46000000000000002 111.511 -170.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.413 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 18.7 m-80 -95.27 2.66 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.369 0.604 . . . . 0.51000000000000001 110.768 -175.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.0 m -92.24 -21.33 20.39 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 121.737 0.779 . . . . 1.4299999999999999 109.39 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.24 -68.45 0.93 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.663 -1.153 . . . . 2.2200000000000002 110.82 -174.35 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 26.2 m -91.6 -58.21 2.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.547 -1.206 . . . . 1.0900000000000001 111.944 -174.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.621 ' C ' ' HG3' ' A' ' 72' ' ' MET . 51.2 mtpt 75.25 22.53 1.7 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.652 -1.158 . . . . 1.74 110.002 -173.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.621 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 1.2 ppp? . . . . . 0 N--CA 1.469 0.475 0 CA-C-N 113.662 -1.608 . . . . 1.71 114.79 171.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.566 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 . . . . . 0 CA--C 1.512 -0.519 0 N-CA-C 109.207 -0.664 . . . . 1.02 109.207 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -176.51 141.55 0.4 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.241 -1.022 . . . . 2.3700000000000001 108.241 169.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.43 41.42 4.82 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 119.774 -1.203 . . . . 1.3899999999999999 110.891 -172.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.566 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 6.2 ptp180 -173.34 -166.83 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.162 -0.519 . . . . 2.3700000000000001 109.916 -172.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.64 49.29 2.37 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.756 -0.657 . . . . 1.05 112.141 173.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.468 HG11 ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -61.88 133.02 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-O 121.772 0.796 . . . . 1.0800000000000001 112.058 -179.375 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.26 -9.39 14.3 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.158 -1.383 . . . . 1.1399999999999999 108.947 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 20' ' ' THR . 3.1 tm? 59.51 179.8 0.08 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.092 -0.958 . . . . 1.8100000000000001 108.743 176.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.748 ' N ' HD13 ' A' ' 19' ' ' LEU . 12.2 t -67.67 -177.16 0.72 Allowed 'General case' 0 C--N 1.321 -0.667 0 O-C-N 120.604 -1.31 . . . . 1.22 109.627 170.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -72.1 -57.31 4.37 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 112.762 0.652 . . . . 2.1499999999999999 112.762 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.16 -61.19 2.05 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.08 0.4 . . . . 2.0499999999999998 112.08 -173.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.604 ' CD ' ' HE ' ' A' ' 47' ' ' ARG . 5.8 mt-10 -46.91 -35.95 7.04 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.19 1.181 . . . . 2.0099999999999998 114.19 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.724 ' CD2' HG23 ' A' ' 40' ' ' VAL . 34.4 t80 -68.64 -54.88 13.69 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.255 0.48 . . . . 0.92000000000000004 110.076 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.24 -43.97 61.6 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.554 0.692 . . . . 1.8 110.893 171.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.557 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 39.0 mt-10 -77.01 -16.54 59.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.889 -0.596 . . . . 1.27 112.318 -177.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.666 ' CD2' HG21 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -62.44 -36.11 81.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.375 -0.602 . . . . 0.19 109.375 168.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -62.73 -34.63 77.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.191 -0.913 . . . . 3.0699999999999998 109.116 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.41 -43.42 70.04 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.953 -0.567 . . . . 0.96999999999999997 110.719 171.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 12.6 t-160 -49.07 -43.8 41.36 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.308 -0.405 . . . . 0.19 111.205 175.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.475 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 11.2 t30 -60.22 -43.73 95.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.22 0.533 . . . . 2.04 110.269 178.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.24 -60.97 2.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.123 -0.944 . . . . 1.0600000000000001 111.713 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -57.14 -48.68 78.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.711 -0.677 . . . . 0.34000000000000002 112.795 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.431 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 10.5 mmm180 -82.7 -4.67 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.641 0.258 . . . . 1.3899999999999999 111.514 -175.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt 60.67 27.42 17.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.647 -0.706 . . . . 1.8700000000000001 111.552 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD12 HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -101.9 -168.29 1.52 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.752 -0.658 . . . . 1.0700000000000001 110.252 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -145.93 95.08 2.58 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.513 HD21 HD12 ' A' ' 36' ' ' LEU . 1.5 pt? -128.44 163.14 25.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.468 0.652 . . . . 1.1599999999999999 110.919 -173.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 p -91.93 156.81 17.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.024 -1.102 . . . . 0.83999999999999997 108.024 169.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.724 HG23 ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -50.39 -37.17 14.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 C-N-CA 120.273 -0.571 . . . . 1.0800000000000001 110.79 177.779 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.593 ' O ' ' HG3' ' A' ' 45' ' ' MET . 30.1 mt-10 -53.12 -51.25 62.54 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.465 0.478 . . . . 0.81999999999999995 110.168 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.491 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 34.6 m-20 -55.41 -41.14 72.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.494 -0.321 . . . . 0.66000000000000003 111.332 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 3.2 t80 -60.32 -51.21 70.5 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.368 0.604 . . . . 0.32000000000000001 109.446 176.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 3.5 mt -57.96 -32.2 67.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.432 -1.258 . . . . 1.0600000000000001 109.567 -174.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.593 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 73.7 mtp -64.33 -59.04 4.85 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.637 0.585 . . . . 1.9099999999999999 110.893 174.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 23.2 mt -49.3 -54.36 17.37 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.551 0.691 . . . . 1.0600000000000001 110.845 178.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.604 ' HE ' ' CD ' ' A' ' 23' ' ' GLU . 1.1 ttt180 -58.23 -53.55 56.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.599 -1.182 . . . . 2.6899999999999999 110.723 178.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.859 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 7.9 m170 -42.67 -60.69 1.47 Allowed 'General case' 0 C--O 1.218 -0.588 0 O-C-N 123.602 0.564 . . . . 0.64000000000000001 111.342 175.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 45' ' ' MET . 18.7 mtt180 -56.19 -45.92 79.61 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.208 -0.597 . . . . 0.92000000000000004 109.92 -173.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.68 -58.74 7.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.604 -0.725 . . . . 1.1899999999999999 111.496 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.44 -40.27 71.35 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.616 0.599 . . . . 1.25 112.616 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.859 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 21.2 mt -80.67 -70.02 0.56 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.491 -0.322 . . . . 1.0900000000000001 110.592 -174.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.51 28.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.23 -0.986 . . . . 0.55000000000000004 113.427 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 49' ' ' ARG . . . -109.17 139.54 43.94 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.482 0.658 . . . . 1.0800000000000001 111.376 177.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -118.95 52.64 1.04 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.413 -0.812 . . . . 1.9299999999999999 111.385 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -75.95 130.77 38.98 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.729 -0.841 . . . . 0.93000000000000005 108.729 170.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.619 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.8 p-10 -40.42 -42.59 1.63 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 116.295 1.961 . . . . 0.71999999999999997 116.295 -169.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.65 -38.28 87.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 119.475 1.034 . . . . 2.3100000000000001 109.952 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 62' ' ' PHE . . . -73.18 -32.45 64.84 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.368 -1.287 . . . . 1.03 111.697 176.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 57' ' ' ASN . 4.2 m -73.86 -39.96 52.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 C-N-CA 119.783 -0.767 . . . . 1.0700000000000001 110.15 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -65.48 -26.19 67.82 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.036 -0.529 . . . . 2.3399999999999999 110.358 174.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.457 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 89.7 t80 -66.92 -59.69 3.29 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.71 -0.677 . . . . 0.20999999999999999 110.21 174.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.58 ' HB2' ' ND2' ' A' ' 67' ' ' ASN . 4.0 ppt_? -63.67 -48.56 76.67 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 112.659 0.614 . . . . 1.8899999999999999 112.659 -176.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.4 ' H ' ' HD2' ' A' ' 63' ' ' ARG . 34.7 p -45.33 -38.29 5.61 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 111.969 0.359 . . . . 1.77 111.969 175.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.457 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 4.0 t90 -86.13 -42.26 14.03 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.015 0.376 . . . . 0.28000000000000003 112.015 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.557 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 7.6 t-105 -77.88 -24.37 48.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.759 0.281 . . . . 0.46000000000000002 111.759 -171.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.58 ' ND2' ' HB2' ' A' ' 63' ' ' ARG . 68.4 m-20 -85.34 -6.07 59.26 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.236 0.541 . . . . 0.51000000000000001 111.297 -176.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.6 t -94.26 -16.96 23.14 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.482 0.658 . . . . 1.4299999999999999 109.587 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HG3' ' H ' ' A' ' 70' ' ' THR . 5.2 ptp180 -114.15 -65.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.361 -0.836 . . . . 2.2200000000000002 111.213 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.486 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 44.1 m -98.61 -57.35 2.21 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.176 -0.92 . . . . 1.0900000000000001 111.744 -176.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.507 ' C ' ' HG3' ' A' ' 72' ' ' MET . 52.4 mtpt 74.76 32.26 0.86 Allowed 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.723 1.264 . . . . 1.74 109.574 -170.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.507 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.465 0 CA-C-N 113.743 -1.571 . . . . 1.71 114.808 175.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.564 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.6 m-85 . . . . . 0 N--CA 1.446 -0.626 0 N-CA-C 109.051 -0.722 . . . . 1.02 109.051 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.451 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 35.8 ttp180 -163.72 146.36 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.221 -0.445 . . . . 2.3700000000000001 110.179 169.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.89 42.77 99.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 1.3899999999999999 112.463 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.564 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -149.99 34.18 0.67 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.351 0.596 . . . . 2.3700000000000001 110.571 -179.156 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.66 27.45 71.0 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.309 -0.948 . . . . 1.05 110.935 -175.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -50.07 126.81 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 CA-C-O 121.935 0.874 . . . . 1.0800000000000001 112.543 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.64 -19.55 15.39 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 113.948 -1.478 . . . . 1.1399999999999999 109.174 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.736 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.32 165.91 0.11 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.124 -0.944 . . . . 1.8100000000000001 109.526 176.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.596 ' O ' HD13 ' A' ' 19' ' ' LEU . 8.3 t -60.79 168.89 2.09 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.293 -0.879 . . . . 1.22 110.554 175.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.59 -44.06 95.13 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.225 0.824 . . . . 2.1499999999999999 113.225 -167.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 32.3 t70 -78.91 -63.48 1.41 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.261 0.467 . . . . 2.0499999999999998 112.261 -171.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.736 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 28.8 mt-10 -45.98 -37.59 6.72 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.604 0.964 . . . . 2.0099999999999998 113.604 -174.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.819 ' CE2' HG22 ' A' ' 40' ' ' VAL . 37.1 t80 -64.43 -58.51 6.23 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.089 0.471 . . . . 0.92000000000000004 110.329 -177.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -40.79 61.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.137 0.494 . . . . 1.8 111.21 171.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.584 ' HB3' ' CZ2' ' A' ' 66' ' ' TRP . 13.1 mm-40 -69.32 -22.89 63.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 1.27 111.683 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -63.8 -36.97 85.65 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.19 110.105 174.553 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 40.4 mtm180 -62.16 -36.25 81.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.731 -0.668 . . . . 3.0699999999999998 109.357 177.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.82 -38.33 73.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.93 -0.577 . . . . 0.96999999999999997 110.715 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.456 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 13.2 t-160 -51.59 -41.79 61.46 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.179 -0.464 . . . . 0.19 110.369 173.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.511 ' OD1' HD22 ' A' ' 38' ' ' LEU . 27.3 m-20 -53.91 -48.05 70.56 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.35 0.595 . . . . 2.04 110.655 175.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.23 -60.48 2.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.194 -0.912 . . . . 1.0600000000000001 112.155 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 t -58.97 -42.4 89.85 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.02 0.748 . . . . 0.34000000000000002 113.02 -171.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -92.31 6.9 45.12 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.972 0.73 . . . . 1.3899999999999999 112.972 -171.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.55 54.68 8.95 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.039 -0.528 . . . . 1.8700000000000001 111.028 177.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.505 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -144.24 -175.04 4.46 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.921 -0.77 . . . . 1.0700000000000001 108.921 -176.551 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -149.24 93.46 2.08 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.098 -0.705 . . . . 1.0 109.098 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.511 HD22 ' OD1' ' A' ' 31' ' ' ASN . 2.3 pt? -123.31 154.63 38.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.308 0.575 . . . . 1.1599999999999999 110.621 -176.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -83.7 168.93 15.81 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.038 -0.983 . . . . 0.83999999999999997 108.808 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.819 HG22 ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -63.96 -42.11 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 C-N-CA 119.928 -0.709 . . . . 1.0800000000000001 110.613 -174.558 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' A' ' 45' ' ' MET . 24.5 mt-10 -45.89 -54.72 7.72 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.793 0.683 . . . . 0.81999999999999995 110.131 178.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.499 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 7.1 m-20 -54.67 -42.6 71.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.518 -0.764 . . . . 0.66000000000000003 111.608 178.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 16.5 t80 -60.89 -54.39 45.61 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.46 0.648 . . . . 0.32000000000000001 109.655 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.651 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 2.9 mt -54.32 -33.78 59.6 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 114.224 -1.353 . . . . 1.0600000000000001 109.609 -176.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.615 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 81.0 mtp -60.89 -59.09 5.93 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.469 0.481 . . . . 1.9099999999999999 110.866 174.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 22.1 mt -48.1 -52.76 19.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.151 -0.931 . . . . 1.0600000000000001 111.88 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.478 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -69.33 -42.37 75.42 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.888 -0.325 . . . . 2.6899999999999999 110.503 -179.481 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.913 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -47.5 -64.19 0.85 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.826 -0.625 . . . . 0.64000000000000001 110.964 176.235 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HB3' ' HB2' ' A' ' 54' ' ' ALA . 17.0 mtt180 -54.63 -50.97 66.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.045 0.45 . . . . 0.92000000000000004 110.808 -172.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.56 -54.04 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.924 -1.035 . . . . 1.1899999999999999 111.461 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.71 88.36 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.606 0.595 . . . . 1.25 112.606 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.913 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 15.5 mt -84.7 -73.95 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.117 -0.233 . . . . 1.0900000000000001 110.583 -172.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.93 39.32 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.467 -0.873 . . . . 0.55000000000000004 112.645 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -122.16 141.87 50.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.014 0.435 . . . . 1.0800000000000001 110.24 178.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -116.53 41.24 2.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.83 0.678 . . . . 1.9299999999999999 112.83 -172.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 3.6 t70 -63.51 125.67 24.98 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.935 -0.765 . . . . 0.93000000000000005 108.935 170.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.503 ' O ' HG23 ' A' ' 60' ' ' VAL . 3.2 p-10 -46.07 -36.05 5.42 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 115.181 1.549 . . . . 0.71999999999999997 115.181 -171.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -62.55 -44.12 97.12 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.663 -0.866 . . . . 2.3100000000000001 108.663 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.72 88.48 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 113.771 -1.558 . . . . 1.03 111.489 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 57' ' ' ASN . 2.8 m -76.06 -37.4 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 119.939 -0.704 . . . . 1.0700000000000001 110.581 -176.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -70.8 -31.28 67.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 120.879 0.371 . . . . 2.3399999999999999 110.428 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.429 ' HE2' ' SD ' ' A' ' 72' ' ' MET . 81.0 t80 -60.42 -53.25 59.78 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 108.966 -0.753 . . . . 0.20999999999999999 108.966 170.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.509 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -48.88 -59.27 3.73 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.72 -1.127 . . . . 1.8899999999999999 110.715 175.374 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.8 t -41.04 -60.11 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.936 0.772 . . . . 1.77 111.996 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.451 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 8.1 t90 -67.8 -53.05 30.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.692 0.282 . . . . 0.28000000000000003 111.572 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.585 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 23.3 t-105 -68.25 -27.24 66.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.375 -0.375 . . . . 0.46000000000000002 111.61 -169.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.528 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 15.4 m-80 -90.1 -1.26 57.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.967 0.358 . . . . 0.51000000000000001 111.967 -176.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -94.01 -15.91 24.39 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.983 0.897 . . . . 1.4299999999999999 109.396 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.98 -64.14 1.35 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.377 -1.283 . . . . 2.2200000000000002 110.319 -175.16 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -95.59 -64.83 1.02 Allowed 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 114.579 -1.191 . . . . 1.0900000000000001 111.913 -176.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HG2' ' HA ' ' A' ' 67' ' ' ASN . 36.3 mtpt 63.72 85.85 0.13 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.201 -1.363 . . . . 1.74 107.762 -159.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.585 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 4.5 ptt? . . . . . 0 C--N 1.315 -0.932 0 CA-C-N 112.218 -2.265 . . . . 1.71 115.938 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.593 ' HB2' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.296 0.57 . . . . 1.02 109.953 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' HA ' HG22 ' A' ' 17' ' ' VAL . 11.9 ttp180 -158.55 176.6 12.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.245 -1.391 . . . . 2.3700000000000001 107.245 170.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.417 ' C ' ' H ' ' A' ' 16' ' ' GLY . . . 86.91 -62.6 4.19 Favored Glycine 0 CA--C 1.509 -0.324 0 C-N-CA 119.16 -1.495 . . . . 1.3899999999999999 113.845 171.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.593 ' HD3' ' HB2' ' A' ' 12' ' ' TYR . 6.6 ptm180 -65.97 28.5 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 125.175 1.39 . . . . 2.3700000000000001 113.698 -175.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 14' ' ' GLY . . . 77.77 -33.71 1.65 Allowed Glycine 0 C--O 1.227 -0.335 0 C-N-CA 120.626 -0.797 . . . . 1.05 111.202 -172.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.533 ' H ' ' C ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 45.6 116.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.873 1.669 . . . . 1.0800000000000001 114.482 176.135 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.38 -24.97 39.39 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.017 -1.447 . . . . 1.1399999999999999 109.868 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.704 HD23 ' N ' ' A' ' 24' ' ' TYR . 44.5 tp 60.03 -172.17 0.13 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.308 -0.86 . . . . 1.8100000000000001 109.12 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.438 ' H ' ' HG ' ' A' ' 19' ' ' LEU . 14.4 t -86.79 177.98 7.14 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 119.273 -0.971 . . . . 1.22 109.472 176.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.16 -50.69 65.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.627 0.251 . . . . 2.1499999999999999 111.36 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -66.95 -63.49 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.119 -0.491 . . . . 2.0499999999999998 111.145 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -45.53 -48.92 14.19 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.628 0.973 . . . . 2.0099999999999998 113.628 -173.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.816 ' CE2' HG21 ' A' ' 40' ' ' VAL . 30.4 t80 -66.14 -52.77 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.233 0.539 . . . . 0.92000000000000004 110.579 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.26 -43.87 71.33 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.345 -0.843 . . . . 1.8 110.494 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.688 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 18.3 mm-40 -68.72 -26.13 65.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.582 -0.736 . . . . 1.27 111.749 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.58 ' CD2' HG22 ' A' ' 40' ' ' VAL . 2.5 t90 -61.48 -38.21 86.47 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.068 0.461 . . . . 0.19 110.323 175.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -63.67 -29.97 71.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.578 -0.737 . . . . 3.0699999999999998 109.373 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.15 -40.4 59.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.949 -0.569 . . . . 0.96999999999999997 110.786 172.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.421 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 16.3 t-160 -50.81 -42.77 58.53 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.576 -0.284 . . . . 0.19 110.287 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.634 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 44.4 t-20 -54.18 -56.75 15.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.798 0.686 . . . . 2.04 110.236 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.56 -59.75 4.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.219 -0.9 . . . . 1.0600000000000001 112.297 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.4 t -59.34 -39.81 84.34 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.101 0.778 . . . . 0.34000000000000002 113.101 -171.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -93.92 -3.49 51.58 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.585 -0.446 . . . . 1.3899999999999999 112.018 -176.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 65.01 22.31 12.4 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.351 0.596 . . . . 1.8700000000000001 111.314 172.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.634 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -92.82 -163.18 1.01 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.76 -0.655 . . . . 1.0700000000000001 109.426 176.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -148.05 45.52 1.08 Allowed 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.524 -1.288 . . . . 1.0 107.524 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -73.9 155.15 39.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.871 -1.513 . . . . 1.1599999999999999 110.485 -173.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -103.4 155.42 18.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.077 -1.083 . . . . 0.83999999999999997 108.077 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.816 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -47.03 -43.53 7.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 114.02 1.119 . . . . 1.0800000000000001 114.02 -170.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 45' ' ' MET . 39.5 mt-10 -48.93 -50.98 32.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 118.271 0.487 . . . . 0.81999999999999995 110.776 -177.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.586 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 4.2 m-20 -58.86 -38.45 78.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.66000000000000003 111.816 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.523 ' HD1' ' CD2' ' A' ' 44' ' ' LEU . 54.6 t80 -60.42 -50.11 74.88 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 108.848 -0.797 . . . . 0.32000000000000001 108.848 175.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.596 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 1.6 mt -60.54 -33.14 72.23 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.046 -1.434 . . . . 1.0600000000000001 109.99 -174.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.553 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 88.9 mtp -64.68 -57.14 9.84 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.704 0.627 . . . . 1.9099999999999999 110.464 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 28.6 mt -50.24 -56.78 9.68 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.949 -0.569 . . . . 1.0600000000000001 111.79 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.58 ' HE ' ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -61.44 -43.13 99.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.589 . . . . 2.6899999999999999 110.747 -177.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.909 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -47.5 -64.67 0.72 Allowed 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.749 -0.66 . . . . 0.64000000000000001 110.882 172.28 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' A' ' 45' ' ' MET . 5.9 mtt180 -59.24 -43.19 92.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.108 0.48 . . . . 0.92000000000000004 110.557 -168.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.7 84.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.972 -1.013 . . . . 1.1899999999999999 111.77 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.74 -35.99 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.184 0.439 . . . . 1.25 112.184 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.909 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 20.3 mt -71.68 -75.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.517 -0.549 . . . . 1.0900000000000001 109.517 -176.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.62 1.41 0.02 OUTLIER Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.135 -1.031 . . . . 0.55000000000000004 113.173 170.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -81.08 128.68 33.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.342 0.592 . . . . 1.0800000000000001 111.299 -176.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -108.62 39.53 1.98 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.547 -0.751 . . . . 1.9299999999999999 111.956 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -70.17 121.29 17.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.547 -0.909 . . . . 0.93000000000000005 108.547 173.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 60' ' ' VAL . 4.4 p-10 -38.0 -40.62 0.49 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 116.235 1.939 . . . . 0.71999999999999997 116.235 -170.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.449 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.4 p-10 -59.19 -36.4 75.29 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.616 1.098 . . . . 2.3100000000000001 110.131 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -75.06 -33.97 61.76 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.663 -1.153 . . . . 1.03 111.51 176.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 57' ' ' ASN . 3.0 m -75.26 -35.85 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.011 -0.675 . . . . 1.0700000000000001 110.275 -176.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -70.3 -31.29 68.56 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.171 -0.468 . . . . 2.3399999999999999 110.082 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.414 ' HB2' HD13 ' A' ' 46' ' ' LEU . 83.7 t80 -62.14 -53.75 50.86 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 108.85 -0.796 . . . . 0.20999999999999999 108.85 171.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.501 ' HA ' HD21 ' A' ' 67' ' ' ASN . 0.3 OUTLIER -50.41 -60.3 3.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.171 -0.922 . . . . 1.8899999999999999 111.156 175.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 t -41.87 -51.73 4.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.049 0.843 . . . . 1.77 112.544 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.486 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 5.7 t90 -77.26 -45.41 26.47 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.032 0.382 . . . . 0.28000000000000003 112.032 -177.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.688 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 41.3 t-105 -76.37 -58.39 3.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.45 -0.341 . . . . 0.46000000000000002 111.326 -172.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.506 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 38.9 m-80 -54.97 -4.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.236 1.199 . . . . 0.51000000000000001 114.236 172.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -91.23 -20.19 22.2 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.322 -0.551 . . . . 1.4299999999999999 110.129 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.475 ' HG3' ' H ' ' A' ' 70' ' ' THR . 6.8 ptp180 -112.68 -60.68 1.84 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.927 -0.579 . . . . 2.2200000000000002 111.622 -178.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.475 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 14.5 m -98.68 -61.3 1.39 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.187 -0.915 . . . . 1.0900000000000001 112.492 -173.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.633 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.5 mtpt 80.69 9.27 1.16 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 114.422 -1.263 . . . . 1.74 111.454 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.637 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 115.052 1.501 . . . . 1.71 115.052 168.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.712 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.8 m-85 . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.292 -0.632 . . . . 1.02 109.292 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -167.71 119.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.786 -0.643 . . . . 2.3700000000000001 109.802 169.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.498 ' HA2' ' OE1' ' A' ' 41' ' ' GLU . . . 114.68 -45.69 1.27 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.277 -0.963 . . . . 1.3899999999999999 113.145 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.712 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -80.19 56.48 2.46 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.117 0.784 . . . . 2.3700000000000001 113.117 -172.618 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.5 28.13 72.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.103 -1.046 . . . . 1.05 111.557 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.606 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -50.9 137.9 8.04 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 N-CA-C 113.818 1.044 . . . . 1.0800000000000001 113.818 -175.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.29 -9.22 12.84 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 113.769 -1.56 . . . . 1.1399999999999999 109.24 174.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 20' ' ' THR . 3.3 tm? 59.29 172.54 0.07 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.208 -0.906 . . . . 1.8100000000000001 109.601 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.734 ' N ' HD12 ' A' ' 19' ' ' LEU . 7.2 t -60.2 164.51 4.1 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.049 -1.032 . . . . 1.22 110.082 172.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -62.99 -44.26 96.52 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.125 0.787 . . . . 2.1499999999999999 113.125 -163.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.96 -60.73 2.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.855 0.359 . . . . 2.0499999999999998 111.866 -172.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.691 ' OE1' ' HD2' ' A' ' 47' ' ' ARG . 5.5 mt-10 -45.79 -35.87 4.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.438 1.273 . . . . 2.0099999999999998 114.438 -177.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.705 ' CE2' HG22 ' A' ' 40' ' ' VAL . 29.4 t80 -64.56 -58.54 6.08 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.02 -0.425 . . . . 0.92000000000000004 110.252 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.38 -40.23 64.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.621 0.724 . . . . 1.8 110.936 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.534 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 9.0 mm-40 -68.46 -20.1 64.6 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.596 -0.729 . . . . 1.27 111.983 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.624 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -67.62 -34.05 76.19 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.027 0.442 . . . . 0.19 109.826 172.699 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -36.01 74.63 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.671 -0.695 . . . . 3.0699999999999998 109.207 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -73.88 -38.65 64.35 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.535 -0.757 . . . . 0.96999999999999997 110.88 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -50.55 -42.78 55.77 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 110.18 -0.304 . . . . 0.19 110.18 173.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.504 ' ND2' ' HA ' ' A' ' 37' ' ' ASP . 25.9 t-20 -52.65 -50.34 63.39 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.745 0.653 . . . . 2.04 109.928 175.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.36 -61.06 2.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.035 -0.984 . . . . 1.0600000000000001 112.358 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.9 t -59.13 -37.4 77.16 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.446 0.906 . . . . 0.34000000000000002 113.446 -169.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.616 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 15.3 mmm180 -93.76 1.8 56.41 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.325 -0.55 . . . . 1.3899999999999999 111.681 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER 54.73 53.99 9.78 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.208 -0.905 . . . . 1.8700000000000001 110.433 177.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -137.37 -175.82 4.19 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.326 -0.99 . . . . 1.0700000000000001 108.326 -177.561 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.504 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 27.0 t70 -146.46 77.25 1.47 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.766 0.793 . . . . 1.0 109.998 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.443 ' H ' HD22 ' A' ' 38' ' ' LEU . 2.1 pt? -106.04 155.47 19.37 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.925 -1.034 . . . . 1.1599999999999999 110.566 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.5 m -84.63 167.58 16.1 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 114.944 -1.026 . . . . 0.83999999999999997 108.932 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.705 HG22 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -63.3 -43.12 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 C-N-CA 120.111 -0.635 . . . . 1.0800000000000001 110.721 -172.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.498 ' OE1' ' HA2' ' A' ' 14' ' ' GLY . 36.2 mt-10 -49.68 -50.11 44.89 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.623 0.577 . . . . 0.81999999999999995 110.591 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.519 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.3 m-20 -57.23 -38.79 74.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.777 0.288 . . . . 0.66000000000000003 111.777 177.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.624 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 3.7 t80 -62.6 -51.57 66.78 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.107 -0.701 . . . . 0.32000000000000001 109.107 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.595 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 2.9 mt -57.09 -31.87 65.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.519 -1.218 . . . . 1.0600000000000001 110.165 -176.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.535 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 59.2 mtm -63.11 -58.47 7.15 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.248 0.342 . . . . 1.9099999999999999 110.505 171.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 16.9 mt -47.47 -55.14 9.67 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.658 -0.701 . . . . 1.0600000000000001 111.946 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.691 ' HD2' ' OE1' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -64.45 -44.77 90.07 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 116.31 -0.404 . . . . 2.6899999999999999 110.462 -178.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.928 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -47.0 -64.06 0.88 Allowed 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.981 -0.554 . . . . 0.64000000000000001 110.252 174.542 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 45' ' ' MET . 23.4 mtt-85 -57.23 -51.05 70.92 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.234 -0.587 . . . . 0.92000000000000004 110.355 -173.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.28 -59.84 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.288 -0.869 . . . . 1.1899999999999999 111.896 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.09 -31.74 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.016 0.747 . . . . 1.25 113.016 -177.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.928 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -87.22 -69.53 0.68 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.627 -0.429 . . . . 1.0900000000000001 110.616 -176.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.89 35.43 0.02 OUTLIER Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.428 -0.892 . . . . 0.55000000000000004 113.191 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.458 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -119.05 141.1 49.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.509 -0.552 . . . . 1.0800000000000001 109.509 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -120.91 47.3 1.84 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.636 0.606 . . . . 1.9299999999999999 112.636 -171.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 15.3 t70 -66.81 126.56 29.41 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.685 -0.857 . . . . 0.93000000000000005 108.685 168.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.669 ' O ' HG21 ' A' ' 60' ' ' VAL . 7.4 p-10 -45.91 -37.59 6.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 115.146 1.536 . . . . 0.71999999999999997 115.146 -169.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -63.12 -40.31 97.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 119.356 0.98 . . . . 2.3100000000000001 109.152 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 62' ' ' PHE . . . -66.17 -32.46 73.91 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.763 -1.562 . . . . 1.03 111.714 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.669 HG21 ' O ' ' A' ' 57' ' ' ASN . 2.8 m -76.19 -37.38 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 C-N-CA 119.76 -0.776 . . . . 1.0700000000000001 109.813 -177.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 24.0 mtpt -64.69 -30.8 71.83 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.378 0.608 . . . . 2.3399999999999999 109.9 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.453 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 89.1 t80 -64.86 -57.71 8.13 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.19 -0.914 . . . . 0.20999999999999999 108.86 173.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -50.68 -61.47 2.18 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.266 -0.879 . . . . 1.8899999999999999 111.743 178.233 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.448 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 59.0 m -46.63 -42.7 16.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.974 0.731 . . . . 1.77 112.974 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.616 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 6.5 t90 -81.35 -48.85 11.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.038 0.446 . . . . 0.28000000000000003 111.614 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.534 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 25.8 t-105 -74.62 -24.37 58.85 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.931 -0.577 . . . . 0.46000000000000002 111.523 -172.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 18.1 m-80 -92.94 -0.13 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.938 0.399 . . . . 0.51000000000000001 111.7 -176.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -93.86 -15.93 24.56 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.56 0.695 . . . . 1.4299999999999999 109.203 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.5 ptp180 -114.91 -59.28 2.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.81 -1.086 . . . . 2.2200000000000002 111.02 -173.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.507 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 22.6 m -102.2 -59.28 1.73 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.477 -1.238 . . . . 1.0900000000000001 111.794 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.579 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.6 mtpt 72.27 26.79 2.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.299 -1.319 . . . . 1.74 109.43 -169.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.61 ' HB2' ' OE2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.703 0 CA-C-N 113.388 -1.733 . . . . 1.71 115.316 169.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.633 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-85 . . . . . 0 C--O 1.234 0.255 0 N-CA-C 109.423 -0.584 . . . . 1.02 109.423 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.444 ' NE ' ' HB3' ' A' ' 41' ' ' GLU . 27.3 ttt180 -156.53 141.67 17.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.499 0.499 . . . . 2.3700000000000001 110.352 167.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.16 -33.95 2.43 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 121.204 -0.522 . . . . 1.3899999999999999 113.668 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.633 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -76.95 47.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.364 0.505 . . . . 2.3700000000000001 112.364 -176.336 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.16 28.95 73.16 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.338 -0.934 . . . . 1.05 111.088 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.523 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -52.67 130.96 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.836 0 CA-C-O 122.281 1.039 . . . . 1.0800000000000001 113.299 -176.278 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.79 -10.14 14.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 113.364 -1.743 . . . . 1.1399999999999999 108.735 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.727 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.3 tm? 59.89 179.48 0.09 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.998 -1.001 . . . . 1.8100000000000001 108.467 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.658 ' N ' HD13 ' A' ' 19' ' ' LEU . 10.1 t -64.59 171.45 3.27 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 120.663 -1.273 . . . . 1.22 109.545 170.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -66.59 -40.15 88.77 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 121.602 -0.686 . . . . 2.1499999999999999 112.732 -167.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -82.01 -64.73 1.12 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.273 0.472 . . . . 2.0499999999999998 112.273 -169.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.727 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 55.7 mt-10 -46.67 -32.91 3.84 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.825 1.046 . . . . 2.0099999999999998 113.825 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.655 ' CE2' HG23 ' A' ' 40' ' ' VAL . 40.2 t80 -64.45 -58.06 7.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.098 0.475 . . . . 0.92000000000000004 110.119 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -55.36 -41.21 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.517 0.675 . . . . 1.8 110.668 173.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.567 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.5 mm-40 -66.83 -22.24 66.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.548 -0.751 . . . . 1.27 111.781 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD2' HG21 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -64.16 -35.7 81.65 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.024 0.44 . . . . 0.19 109.882 173.454 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -61.03 -36.2 78.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.629 -0.714 . . . . 3.0699999999999998 109.333 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -70.87 -41.94 70.72 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.236 -0.438 . . . . 0.96999999999999997 110.615 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -49.71 -43.28 47.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.501 -0.318 . . . . 0.19 110.838 174.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.647 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 8.8 t30 -56.03 -46.79 78.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.262 0.553 . . . . 2.04 110.444 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.84 -60.27 2.81 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.089 -0.959 . . . . 1.0600000000000001 112.028 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.4 t -60.66 -34.66 74.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.456 0.91 . . . . 0.34000000000000002 113.456 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 23.2 mmm180 -96.82 5.26 50.92 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.973 -0.691 . . . . 1.3899999999999999 112.78 -175.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.03 56.59 6.87 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.847 -0.615 . . . . 1.8700000000000001 110.924 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.647 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -140.77 -176.82 4.8 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.766 -0.827 . . . . 1.0700000000000001 108.766 -177.179 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -139.2 68.57 1.37 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.431 -1.322 . . . . 1.0 107.431 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.83 144.42 30.52 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.456 -1.247 . . . . 1.1599999999999999 109.473 -173.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 m -85.04 168.63 14.73 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.915 -0.772 . . . . 0.83999999999999997 108.915 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.655 HG23 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -60.3 -43.19 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 120.534 -0.467 . . . . 1.0800000000000001 110.396 -174.568 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.585 ' O ' ' HG3' ' A' ' 45' ' ' MET . 51.8 mt-10 -44.06 -57.35 3.43 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 123.985 0.803 . . . . 0.81999999999999995 111.324 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.559 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.1 m-20 -59.29 -35.95 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.66000000000000003 111.974 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.535 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 17.0 t80 -60.85 -55.45 32.92 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.15 -0.685 . . . . 0.32000000000000001 109.15 173.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 2.7 mt -53.39 -34.49 57.89 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 114.159 -1.382 . . . . 1.0600000000000001 109.543 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 87.0 mtp -63.74 -58.58 6.42 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.581 0.551 . . . . 1.9099999999999999 111.13 174.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 33.2 mt -48.82 -53.07 20.8 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.823 -0.626 . . . . 1.0600000000000001 111.618 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.606 ' HD2' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -66.27 -42.43 88.46 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.538 -0.301 . . . . 2.6899999999999999 110.39 179.125 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.858 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -46.21 -62.74 1.21 Allowed 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.986 -0.552 . . . . 0.64000000000000001 110.964 174.636 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.424 ' HB3' ' HB1' ' A' ' 54' ' ' ALA . 17.8 mtt180 -56.92 -45.99 82.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.116 0.484 . . . . 0.92000000000000004 110.602 -175.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.26 -57.15 14.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.159 -0.928 . . . . 1.1899999999999999 111.152 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.02 83.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.79 -0.641 . . . . 1.25 112.593 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.858 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 15.4 mt -77.18 -69.06 0.55 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.515 -0.311 . . . . 1.0900000000000001 110.282 -170.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.31 35.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.124 -1.036 . . . . 0.55000000000000004 113.453 173.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 49' ' ' ARG . . . -114.85 139.7 49.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.081 0.467 . . . . 1.0800000000000001 110.23 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -119.12 51.23 1.14 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.146 -0.479 . . . . 1.9299999999999999 112.166 -171.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.409 ' O ' HG12 ' A' ' 60' ' ' VAL . 20.6 t70 -74.03 128.73 36.3 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.102 -0.703 . . . . 0.93000000000000005 109.102 167.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.532 ' O ' HG23 ' A' ' 60' ' ' VAL . 3.1 p-10 -49.39 -31.69 10.07 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 115.437 1.643 . . . . 0.71999999999999997 115.437 -170.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -64.0 -44.33 92.96 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.579 -0.897 . . . . 2.3100000000000001 108.579 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.2 -35.86 82.38 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.999 -1.455 . . . . 1.03 111.623 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 57' ' ' ASN . 2.4 m -75.14 -36.85 38.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 119.979 -0.689 . . . . 1.0700000000000001 110.834 -175.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 80.9 mttt -73.34 -29.35 62.61 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.98 -0.288 . . . . 2.3399999999999999 110.606 175.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.403 ' HB2' HD11 ' A' ' 46' ' ' LEU . 73.3 t80 -58.64 -54.37 47.84 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.408 -0.96 . . . . 0.20999999999999999 108.408 168.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.82 -59.49 4.05 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.99 -1.005 . . . . 1.8899999999999999 111.386 175.111 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -43.12 -54.7 4.26 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.315 0.487 . . . . 1.77 112.315 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.49 ' CE3' ' HB2' ' A' ' 66' ' ' TRP . 7.8 t90 -70.03 -50.74 38.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.426 . . . . 0.28000000000000003 111.801 -178.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 22.2 t-105 -74.24 -24.58 59.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.225 -0.443 . . . . 0.46000000000000002 111.857 -171.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 18.7 m-80 -93.83 1.39 56.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.982 0.42 . . . . 0.51000000000000001 111.742 -176.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -94.14 -16.4 23.78 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.971 -0.752 . . . . 1.4299999999999999 108.971 172.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.501 ' HG3' ' H ' ' A' ' 70' ' ' THR . 9.3 ptp180 -114.42 -62.64 1.57 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.884 -1.053 . . . . 2.2200000000000002 111.039 -173.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.501 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 25.9 m -99.31 -57.39 2.17 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.64 -1.163 . . . . 1.0900000000000001 111.659 -174.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.561 ' C ' ' HG3' ' A' ' 72' ' ' MET . 30.1 mtpt 74.35 21.16 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 113.994 -1.457 . . . . 1.74 110.229 -173.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.561 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 115.113 1.523 . . . . 1.71 115.113 170.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.662 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.021 -0.363 . . . . 1.02 110.021 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.495 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 33.4 ttp-105 -157.94 141.37 15.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 2.3700000000000001 109.919 168.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.85 -32.84 2.41 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.974 -0.631 . . . . 1.3899999999999999 113.706 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.662 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -80.05 47.57 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.477 0.547 . . . . 2.3700000000000001 112.477 -174.616 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.66 28.42 73.16 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.263 -0.97 . . . . 1.05 111.109 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.555 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -53.14 131.4 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 122.069 0.938 . . . . 1.0800000000000001 113.079 -177.232 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.09 -9.58 13.53 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 113.619 -1.628 . . . . 1.1399999999999999 109.429 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.65 HD23 ' CD2' ' A' ' 44' ' ' LEU . 59.1 tp 54.77 -169.17 0.07 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.327 -0.851 . . . . 1.8100000000000001 109.317 178.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.567 ' H ' ' HG ' ' A' ' 19' ' ' LEU . 9.0 t -77.06 169.14 18.88 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.802 -1.159 . . . . 1.22 109.719 173.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -58.98 -54.25 49.24 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.809 0.338 . . . . 2.1499999999999999 111.021 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 28.7 t70 -68.28 -63.06 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.933 -0.576 . . . . 2.0499999999999998 111.403 -174.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' OE2' ' HB2' ' A' ' 72' ' ' MET . 47.5 mt-10 -49.37 -39.7 33.02 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.523 0.934 . . . . 2.0099999999999998 113.523 -174.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.775 ' CE2' HG23 ' A' ' 40' ' ' VAL . 39.1 t80 -64.83 -54.59 28.63 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.235 0.541 . . . . 0.92000000000000004 110.023 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.17 -41.36 62.54 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 1.8 111.228 171.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.621 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 13.3 mm-40 -67.75 -24.36 65.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.154 -0.476 . . . . 1.27 111.493 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.592 ' HB2' ' CG ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -62.17 -38.55 89.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.997 0.427 . . . . 0.19 110.02 173.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -62.03 -33.28 74.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.582 -0.735 . . . . 3.0699999999999998 109.55 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -76.18 -39.11 55.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.96999999999999997 110.956 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.439 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 11.4 t-160 -49.84 -41.37 44.87 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.355 -0.239 . . . . 0.19 110.355 172.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.407 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 26.4 t-20 -55.09 -51.36 66.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.905 -0.589 . . . . 2.04 110.063 175.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.89 -60.95 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.135 -0.939 . . . . 1.0600000000000001 112.396 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.3 t -57.18 -45.91 83.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.855 0.687 . . . . 0.34000000000000002 112.855 -172.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -84.75 -4.01 58.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.659 -0.416 . . . . 1.3899999999999999 111.355 -177.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp 61.07 26.24 16.19 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.828 -0.624 . . . . 1.8700000000000001 111.387 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.514 HD11 HD21 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -103.0 -168.36 1.51 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.565 -0.743 . . . . 1.0700000000000001 110.194 -179.309 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -143.38 105.9 4.45 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 108.991 -0.744 . . . . 1.0 108.991 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.514 HD21 HD11 ' A' ' 36' ' ' LEU . 1.6 pt? -138.59 160.75 38.83 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.817 -0.629 . . . . 1.1599999999999999 110.505 -175.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -97.04 175.95 6.13 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.864 -1.062 . . . . 0.83999999999999997 108.593 171.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.775 HG23 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.54 -39.93 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 C-N-CA 120.16 -0.616 . . . . 1.0800000000000001 110.837 -172.805 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.495 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 40.7 mt-10 -49.06 -48.48 44.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.425 0.453 . . . . 0.81999999999999995 110.725 178.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.481 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.1 m-20 -53.12 -47.33 68.73 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.892 -0.594 . . . . 0.66000000000000003 111.222 176.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.592 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 39.3 t80 -59.33 -52.08 67.18 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-O 121.487 0.66 . . . . 0.32000000000000001 109.558 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.65 ' CD2' HD23 ' A' ' 19' ' ' LEU . 2.5 mt -56.53 -35.15 67.76 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 114.055 -1.43 . . . . 1.0600000000000001 109.915 -174.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.516 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 78.8 mtm -66.79 -58.55 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.457 0.473 . . . . 1.9099999999999999 111.643 175.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 16.6 mt -49.23 -53.33 22.03 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.459 0.647 . . . . 1.0600000000000001 110.733 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -58.99 -54.57 45.64 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.787 -1.097 . . . . 2.6899999999999999 110.647 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.868 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.2 m170 -39.57 -62.64 0.66 Allowed 'General case' 0 C--O 1.217 -0.645 0 O-C-N 124.021 0.826 . . . . 0.64000000000000001 111.689 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 45' ' ' MET . 8.4 mtt180 -57.53 -45.81 84.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.899 0.381 . . . . 0.92000000000000004 110.442 -171.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.49 -57.04 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 1.1899999999999999 111.093 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.1 -45.01 61.37 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.261 0.625 . . . . 1.25 112.368 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.868 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.4 mt -83.9 -76.55 0.29 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.238 -0.437 . . . . 1.0900000000000001 110.648 -172.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.81 14.14 0.02 OUTLIER Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.205 -0.998 . . . . 0.55000000000000004 113.709 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -94.01 141.43 28.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.22 0.51 . . . . 1.0800000000000001 110.855 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -123.2 48.76 1.77 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.458 0.54 . . . . 1.9299999999999999 112.458 -176.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.33 127.52 33.33 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.657 -0.868 . . . . 0.93000000000000005 108.657 169.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.642 ' O ' HG23 ' A' ' 60' ' ' VAL . 3.7 p-10 -37.4 -46.63 0.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.793 2.146 . . . . 0.71999999999999997 116.793 -169.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.444 ' C ' HD23 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -59.18 -37.2 76.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.766 1.166 . . . . 2.3100000000000001 110.104 -176.591 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . . . -72.0 -33.1 67.83 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.172 -1.376 . . . . 1.03 111.863 176.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 57' ' ' ASN . 3.6 m -75.2 -37.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.788 -0.765 . . . . 1.0700000000000001 110.039 -176.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -65.2 -33.65 76.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.307 0.575 . . . . 2.3399999999999999 110.062 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.475 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 75.2 t80 -62.08 -55.52 28.17 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.386 -0.825 . . . . 0.20999999999999999 109.331 173.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -60.65 2.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.235 -0.893 . . . . 1.8899999999999999 111.075 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.1 m -47.68 -35.96 10.37 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.568 0.951 . . . . 1.77 113.568 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.49 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 6.7 t90 -86.24 -48.48 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.179 -0.325 . . . . 0.28000000000000003 111.577 177.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.621 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 31.1 t-105 -74.03 -22.29 59.62 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 122.695 0.398 . . . . 0.46000000000000002 111.834 -170.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -96.37 1.06 51.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.103 0.477 . . . . 0.51000000000000001 111.25 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.5 m -92.45 -17.7 24.21 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.529 0.681 . . . . 1.4299999999999999 109.683 172.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.52 -65.75 1.15 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.999 -1.0 . . . . 2.2200000000000002 110.898 -174.391 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 31.8 m -96.15 -58.75 2.0 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.625 -1.17 . . . . 1.0900000000000001 112.185 -173.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.634 ' C ' ' HG3' ' A' ' 72' ' ' MET . 23.9 mtmt 72.99 25.9 2.3 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 124.285 0.991 . . . . 1.74 110.748 -171.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.634 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 115.151 1.538 . . . . 1.71 115.151 171.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.565 ' HB2' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER . . . . . 0 CA--C 1.518 -0.253 0 CA-C-O 120.939 0.399 . . . . 1.02 110.203 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HD2' ' N ' ' A' ' 14' ' ' GLY . 4.7 tmm_? -170.04 138.83 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.062 -1.088 . . . . 2.3700000000000001 108.062 172.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.438 ' N ' ' HD2' ' A' ' 13' ' ' ARG . . . 89.82 54.61 2.16 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 119.45 -1.357 . . . . 1.3899999999999999 112.982 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.565 ' HD3' ' HB2' ' A' ' 12' ' ' TYR . 10.0 ptm180 -178.61 24.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.702 0.287 . . . . 2.3700000000000001 111.276 -174.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.91 28.66 73.88 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.048 -1.072 . . . . 1.05 110.506 -173.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.53 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -38.36 139.31 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 113.868 1.062 . . . . 1.0800000000000001 113.868 -179.486 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.51 -13.23 18.74 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.12 -1.4 . . . . 1.1399999999999999 110.191 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.684 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 61.8 175.15 0.12 Allowed 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.917 0.761 . . . . 1.8100000000000001 109.028 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.616 ' O ' HD12 ' A' ' 19' ' ' LEU . 9.3 t -65.89 -169.83 0.07 Allowed 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.143 -0.973 . . . . 1.22 109.48 168.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -73.91 -57.33 4.05 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.126 -0.984 . . . . 2.1499999999999999 112.918 -172.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.491 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.2 m-20 -66.87 -64.73 0.79 Allowed 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.976 0.732 . . . . 2.0499999999999998 112.976 -170.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.684 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 2.1 mp0 -46.14 -31.94 2.67 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.443 1.275 . . . . 2.0099999999999998 114.443 -174.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.616 ' CD2' HG23 ' A' ' 40' ' ' VAL . 32.7 t80 -69.05 -52.34 29.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 118.421 0.555 . . . . 0.92000000000000004 109.541 -178.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.95 -45.98 82.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.66 -0.7 . . . . 1.8 110.346 171.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.613 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.1 mm-40 -67.45 -24.3 65.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.507 -0.769 . . . . 1.27 111.637 -176.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.668 ' CD2' HG21 ' A' ' 40' ' ' VAL . 2.3 t90 -63.76 -37.54 87.74 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.963 0.411 . . . . 0.19 110.241 174.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 64.6 mtm180 -59.2 -37.73 78.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.744 -0.662 . . . . 3.0699999999999998 109.41 176.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -72.25 -41.16 67.1 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.98 -0.555 . . . . 0.96999999999999997 110.773 174.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.416 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 16.4 t-160 -47.63 -39.52 17.19 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.396 -0.366 . . . . 0.19 110.537 172.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.606 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 31.7 m-80 -58.14 -49.86 75.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 2.04 110.609 176.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.07 -60.67 2.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.472 -0.785 . . . . 1.0600000000000001 111.537 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -57.6 -32.8 67.55 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.172 0.805 . . . . 0.34000000000000002 113.172 -172.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.406 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 17.4 mmm180 -101.73 1.14 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.682 -0.407 . . . . 1.3899999999999999 111.904 -177.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.38 26.76 16.5 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 122.868 0.467 . . . . 1.8700000000000001 111.695 171.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.606 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -106.49 -167.07 1.25 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.14 0.495 . . . . 1.0700000000000001 110.162 178.731 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -144.62 42.66 1.36 Allowed 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.953 -1.129 . . . . 1.0 107.953 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.39 151.27 39.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.071 -1.422 . . . . 1.1599999999999999 110.424 -174.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.0 m -87.3 169.68 12.09 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.457 -0.572 . . . . 0.83999999999999997 109.457 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.668 HG21 ' CD2' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -64.62 -44.81 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 C-N-CA 120.54 -0.464 . . . . 1.0800000000000001 110.415 -173.682 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -53.22 -46.12 68.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.953 -0.567 . . . . 0.81999999999999995 110.846 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.509 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.1 m-20 -56.32 -42.39 77.58 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.221 -0.192 . . . . 0.66000000000000003 111.277 174.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.661 ' CE1' ' HB3' ' A' ' 23' ' ' GLU . 2.2 t80 -60.3 -54.2 48.56 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.319 0.581 . . . . 0.32000000000000001 109.704 175.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 4.3 mt -55.85 -30.09 60.91 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 114.653 -1.158 . . . . 1.0600000000000001 110.418 -173.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.609 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 73.3 mtm -64.66 -55.64 18.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.796 0.685 . . . . 1.9099999999999999 110.042 173.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 21.4 mt -49.22 -56.15 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.453 -0.794 . . . . 1.0600000000000001 111.712 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.548 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -67.22 -44.26 79.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.505 -0.316 . . . . 2.6899999999999999 111.113 -179.028 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.872 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -41.88 -62.8 0.83 Allowed 'General case' 0 C--O 1.219 -0.53 0 O-C-N 123.38 0.425 . . . . 0.64000000000000001 110.475 171.804 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' ' 45' ' ' MET . 23.2 mtt-85 -58.27 -43.33 87.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.907 0.384 . . . . 0.92000000000000004 110.575 -172.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.86 -57.43 12.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 1.1899999999999999 111.326 178.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.86 82.56 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.583 0.586 . . . . 1.25 112.583 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.872 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 18.5 mt -78.14 -74.75 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.69 -0.232 . . . . 1.0900000000000001 110.6 -174.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.48 14.32 0.02 OUTLIER Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.114 -1.041 . . . . 0.55000000000000004 113.599 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -95.48 135.21 37.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.232 0.516 . . . . 1.0800000000000001 110.807 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.69 48.08 1.18 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 1.9299999999999999 111.348 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.1 128.35 35.29 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.039 -0.726 . . . . 0.93000000000000005 109.039 172.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.544 ' O ' HG22 ' A' ' 60' ' ' VAL . 3.6 p-10 -39.51 -45.62 1.59 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 116.649 2.092 . . . . 0.71999999999999997 116.649 -170.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.409 ' C ' HD23 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -63.02 -35.69 81.06 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.537 1.062 . . . . 2.3100000000000001 109.957 -177.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.02 -36.51 72.42 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.511 -1.222 . . . . 1.03 111.544 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 57' ' ' ASN . 3.5 m -75.95 -37.9 34.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 119.948 -0.701 . . . . 1.0700000000000001 110.432 -176.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.461 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 81.5 mttt -70.04 -29.98 67.15 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.384 -0.371 . . . . 2.3399999999999999 110.681 175.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.442 ' HB2' HD13 ' A' ' 46' ' ' LEU . 75.8 t80 -61.71 -55.12 33.72 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.793 -0.817 . . . . 0.20999999999999999 108.793 169.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.521 ' HA ' HD21 ' A' ' 67' ' ' ASN . 0.3 OUTLIER -48.56 -58.77 4.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.725 -1.125 . . . . 1.8899999999999999 111.004 176.3 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.9 t -40.41 -47.59 2.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.716 -0.674 . . . . 1.77 112.716 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.562 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.3 t90 -80.53 -47.24 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.902 0.334 . . . . 0.28000000000000003 111.902 -178.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.613 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 44.4 t-105 -79.55 -24.77 41.92 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 111.902 0.334 . . . . 0.46000000000000002 111.902 -170.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.521 HD21 ' HA ' ' A' ' 63' ' ' ARG . 19.2 m-80 -93.74 -2.51 53.65 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 121.383 0.611 . . . . 0.51000000000000001 110.729 -176.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -93.43 -15.41 25.64 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.6 0.714 . . . . 1.4299999999999999 109.158 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 7.7 ptp180 -113.19 -61.59 1.72 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.072 -0.967 . . . . 2.2200000000000002 110.675 -176.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.522 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 19.6 m -103.71 -60.73 1.52 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.874 -1.057 . . . . 1.0900000000000001 112.191 -173.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.483 ' C ' ' HG2' ' A' ' 72' ' ' MET . 45.9 mtpt 74.64 26.74 1.39 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.467 -1.242 . . . . 1.74 110.176 -171.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.536 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 13.7 ptt? . . . . . 0 N--CA 1.475 0.783 0 O-C-N 124.584 1.177 . . . . 1.71 113.903 172.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.571 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.5 m-85 . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 108.579 -0.897 . . . . 1.02 108.579 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.455 ' CD ' ' HB3' ' A' ' 41' ' ' GLU . 5.3 tmm_? -166.91 125.66 1.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.986 -0.746 . . . . 2.3700000000000001 108.986 169.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.687 ' HA2' ' OE2' ' A' ' 41' ' ' GLU . . . 109.39 -43.83 1.63 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.183 -1.008 . . . . 1.3899999999999999 113.155 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.571 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -77.69 47.64 0.63 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.048 0.759 . . . . 2.3700000000000001 113.048 -173.279 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 63.42 29.18 73.8 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.346 -0.93 . . . . 1.05 111.249 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -45.29 134.42 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 113.608 0.966 . . . . 1.0800000000000001 113.608 -177.815 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.44 -16.77 14.46 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.05 -1.432 . . . . 1.1399999999999999 109.4 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.755 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.53 173.6 0.14 Allowed 'General case' 0 CA--C 1.544 0.735 0 O-C-N 123.991 0.807 . . . . 1.8100000000000001 109.195 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.603 ' O ' HD13 ' A' ' 19' ' ' LEU . 3.3 t -62.09 158.56 16.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.782 -1.198 . . . . 1.22 110.106 171.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -57.48 -43.66 84.3 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.397 0.517 . . . . 2.1499999999999999 112.397 -171.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.13 -64.32 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.384 0.513 . . . . 2.0499999999999998 112.384 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.755 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 31.6 mm-40 -50.37 -34.45 24.15 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.324 0.861 . . . . 2.0099999999999998 113.324 -174.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.732 ' CE2' HG22 ' A' ' 40' ' ' VAL . 31.4 t80 -63.57 -58.23 7.62 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.122 0.487 . . . . 0.92000000000000004 110.005 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -52.88 -43.97 66.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.312 0.577 . . . . 1.8 110.951 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.583 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 8.9 mm-40 -63.55 -24.92 68.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.782 -0.644 . . . . 1.27 111.703 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.587 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -62.9 -37.56 87.43 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.826 0.346 . . . . 0.19 110.287 174.815 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 34.4 mtm180 -59.92 -36.63 77.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.734 -0.666 . . . . 3.0699999999999998 109.499 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -74.37 -37.57 63.43 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.048 -0.524 . . . . 0.96999999999999997 110.773 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.457 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.4 t-160 -49.71 -39.3 36.51 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.692 -0.231 . . . . 0.19 110.545 172.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.483 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 8.9 m120 -56.21 -51.63 67.37 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.531 0.519 . . . . 2.04 110.183 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.94 -61.3 2.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.171 -0.922 . . . . 1.0600000000000001 112.227 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.402 ' HB3' ' CZ2' ' A' ' 65' ' ' TRP . 22.2 t -58.35 -36.51 73.54 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.998 0.74 . . . . 0.34000000000000002 112.998 -171.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -91.25 -4.72 55.7 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.595 -0.442 . . . . 1.3899999999999999 111.764 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 55.51 52.52 11.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.147 -0.933 . . . . 1.8700000000000001 111.045 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.483 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -134.93 -173.14 3.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.454 -0.794 . . . . 1.0700000000000001 109.311 -176.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.07 105.74 4.69 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.475 HD23 HD12 ' A' ' 36' ' ' LEU . 2.1 pt? -138.8 158.29 44.49 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.535 -0.757 . . . . 1.1599999999999999 110.179 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.9 m -93.66 173.64 7.58 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.94 -1.027 . . . . 0.83999999999999997 108.917 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.732 HG22 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.06 -44.23 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 C-N-CA 120.028 -0.669 . . . . 1.0800000000000001 111.013 -169.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.687 ' OE2' ' HA2' ' A' ' 14' ' ' GLY . 16.5 mt-10 -47.63 -49.54 26.89 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.563 0.54 . . . . 0.81999999999999995 110.463 177.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.465 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 39.6 m-20 -57.77 -40.09 79.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.987 -0.551 . . . . 0.66000000000000003 111.063 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.587 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 12.7 t80 -62.06 -53.63 52.71 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.395 0.617 . . . . 0.32000000000000001 109.539 175.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.649 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 2.7 mt -57.0 -29.81 63.62 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 114.477 -1.238 . . . . 1.0600000000000001 109.937 -175.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.621 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 94.7 mtp -62.64 -57.18 11.98 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.477 0.486 . . . . 1.9099999999999999 110.062 173.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 23.3 mt -52.12 -54.67 27.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.327 -0.851 . . . . 1.0600000000000001 111.746 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.503 ' HG3' ' H ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -63.2 -45.75 90.26 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.769 -0.372 . . . . 2.6899999999999999 110.637 -179.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.901 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -45.33 -62.39 1.29 Allowed 'General case' 0 C--O 1.216 -0.672 0 O-C-N 123.587 0.554 . . . . 0.64000000000000001 111.299 174.341 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HB3' ' HB2' ' A' ' 54' ' ' ALA . 4.2 mtt180 -53.88 -49.68 67.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.625 -0.43 . . . . 0.92000000000000004 110.743 -172.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.89 -54.75 43.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.781 -0.645 . . . . 1.1899999999999999 111.038 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.54 -36.68 69.52 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.054 0.761 . . . . 1.25 113.054 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.901 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.2 mt -88.64 -65.2 1.04 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.574 -0.285 . . . . 1.0900000000000001 110.51 -173.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.44 17.63 0.02 OUTLIER Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.189 -1.005 . . . . 0.55000000000000004 113.537 171.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -99.72 135.16 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.133 0.492 . . . . 1.0800000000000001 111.074 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.37 52.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.438 0.637 . . . . 1.9299999999999999 111.142 -176.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.98 129.44 38.12 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.193 -0.912 . . . . 0.93000000000000005 109.388 170.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.475 ' O ' HG22 ' A' ' 60' ' ' VAL . 3.6 p-10 -40.93 -43.77 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 115.434 1.642 . . . . 0.71999999999999997 115.434 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.76 -38.61 88.63 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.067 0.849 . . . . 2.3100000000000001 109.804 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.33 -34.0 67.74 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.161 -1.381 . . . . 1.03 111.746 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 57' ' ' ASN . 3.3 m -78.3 -35.84 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 119.558 -0.857 . . . . 1.0700000000000001 110.389 -177.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -72.06 -21.07 61.57 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.212 0.529 . . . . 2.3399999999999999 110.295 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -70.55 -55.67 8.34 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.63 -0.878 . . . . 0.20999999999999999 108.63 168.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HD3' ' N ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -48.66 -61.75 1.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.122 -0.945 . . . . 1.8899999999999999 111.464 177.32 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.451 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 43.0 p -43.55 -56.66 3.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.842 0.714 . . . . 1.77 112.353 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.466 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 10.1 t90 -64.9 -51.73 60.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.411 -0.359 . . . . 0.28000000000000003 111.672 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.583 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 11.2 t-105 -69.27 -24.46 63.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.593 -0.276 . . . . 0.46000000000000002 111.147 -171.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -96.21 2.96 53.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.258 0.552 . . . . 0.51000000000000001 111.119 -175.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.3 m -93.38 -18.91 21.85 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.891 0.853 . . . . 1.4299999999999999 109.241 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.73 -67.46 1.0 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.657 -1.156 . . . . 2.2200000000000002 111.039 -175.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 72' ' ' MET . 26.0 m -93.13 -58.64 2.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.602 -1.181 . . . . 1.0900000000000001 111.796 -174.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.59 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.9 mtpt 73.72 22.94 2.44 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 114.563 -1.199 . . . . 1.74 109.661 -172.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.59 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.587 0 CA-C-N 113.857 -1.519 . . . . 1.71 115.096 172.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.541 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.0 m-85 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.899 -0.408 . . . . 1.02 109.899 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 9.6 ttp180 -158.52 139.85 13.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.575 -0.739 . . . . 2.3700000000000001 110.155 169.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.17 -30.97 2.92 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.94 -0.648 . . . . 1.3899999999999999 113.889 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.541 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -78.55 47.5 0.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.341 0.497 . . . . 2.3700000000000001 112.341 -176.174 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.73 29.09 74.31 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.319 -0.943 . . . . 1.05 110.913 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.502 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -49.51 129.0 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 N-CA-C 113.39 0.885 . . . . 1.0800000000000001 113.39 -175.718 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.1 -15.66 15.02 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.076 -1.42 . . . . 1.1399999999999999 108.875 174.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.738 HD11 ' N ' ' A' ' 20' ' ' THR . 3.4 tm? 61.65 170.12 0.11 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.005 -0.998 . . . . 1.8100000000000001 109.283 175.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.738 ' N ' HD11 ' A' ' 19' ' ' LEU . 9.0 t -58.47 162.38 3.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 120.938 -1.101 . . . . 1.22 110.002 172.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -63.72 -53.56 49.22 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.066 0.395 . . . . 2.1499999999999999 112.066 -167.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.465 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.7 m-20 -64.15 -64.14 0.96 Allowed 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.465 -0.334 . . . . 2.0499999999999998 111.455 -175.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.541 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -44.29 -41.07 5.69 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.438 0.903 . . . . 2.0099999999999998 113.438 -176.242 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.692 ' CE2' HG21 ' A' ' 40' ' ' VAL . 45.7 t80 -67.34 -49.82 62.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.412 0.625 . . . . 0.92000000000000004 110.276 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -58.09 -42.99 86.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.365 -0.834 . . . . 1.8 109.661 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.598 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.8 mm-40 -70.64 -21.73 62.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.099 -0.955 . . . . 1.27 111.301 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.594 ' CD2' HG22 ' A' ' 40' ' ' VAL . 2.3 t90 -63.12 -38.11 89.89 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.195 0.521 . . . . 0.19 109.835 173.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -60.95 -36.95 80.71 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.292 -0.867 . . . . 3.0699999999999998 109.567 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -74.1 -37.08 64.26 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.02 -0.537 . . . . 0.96999999999999997 110.737 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.5 t-160 -52.66 -40.94 63.34 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.402 -0.363 . . . . 0.19 110.117 173.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.609 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 8.9 t30 -54.78 -50.7 67.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.761 -0.654 . . . . 2.04 110.383 175.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.56 -59.79 3.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.387 -0.824 . . . . 1.0600000000000001 112.077 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.1 t -62.12 -28.56 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.841 0.682 . . . . 0.34000000000000002 112.841 -171.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -101.11 1.88 39.71 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.92 -0.488 . . . . 1.3899999999999999 111.561 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 57.93 27.19 14.32 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.204 0.602 . . . . 1.8700000000000001 111.591 172.417 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.609 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -106.12 -171.69 1.95 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.693 -0.685 . . . . 1.0700000000000001 109.542 178.177 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.4 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 19.8 t70 -140.63 53.14 1.61 Allowed 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.09 149.37 25.6 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.34 -1.3 . . . . 1.1599999999999999 110.272 -172.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -88.68 169.99 11.19 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.252 -0.647 . . . . 0.83999999999999997 109.252 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.692 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.17 -41.46 92.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 120.579 -0.448 . . . . 1.0800000000000001 110.969 -170.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 45' ' ' MET . 46.1 mt-10 -47.08 -54.84 9.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.739 0.65 . . . . 0.81999999999999995 111.225 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.606 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 1.6 m-20 -54.25 -43.49 70.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.37 -0.377 . . . . 0.66000000000000003 111.855 176.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.482 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 13.3 t80 -59.16 -52.84 63.97 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.274 0.559 . . . . 0.32000000000000001 109.698 177.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 2.7 mt -54.64 -34.99 63.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.504 -1.226 . . . . 1.0600000000000001 109.744 -177.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.591 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 79.5 mtp -64.35 -57.47 9.27 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.325 0.391 . . . . 1.9099999999999999 110.608 173.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 21.7 mt -46.88 -54.62 9.57 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.729 -0.669 . . . . 1.0600000000000001 111.752 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.477 ' HD3' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.85 -42.7 90.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.178 -0.465 . . . . 2.6899999999999999 110.341 -178.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.901 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.4 m170 -48.3 -65.23 0.6 Allowed 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.402 -0.817 . . . . 0.64000000000000001 110.655 173.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 45' ' ' MET . 4.5 mtt180 -57.2 -47.9 80.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.36 0.6 . . . . 0.92000000000000004 110.042 -173.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.26 -57.58 9.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.212 -1.358 . . . . 1.1899999999999999 112.187 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.06 -31.09 55.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 112.956 0.725 . . . . 1.25 112.956 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.901 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 22.7 mt -76.3 -74.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.135 -0.626 . . . . 1.0900000000000001 110.087 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.97 35.71 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.325 -0.941 . . . . 0.55000000000000004 112.825 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -119.69 138.92 52.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.464 -0.569 . . . . 1.0800000000000001 109.464 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -124.6 49.99 1.76 Allowed 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.574 -0.451 . . . . 1.9299999999999999 111.888 -172.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -72.47 134.55 45.38 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.557 -0.905 . . . . 0.93000000000000005 108.557 170.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.42 ' O ' HG21 ' A' ' 60' ' ' VAL . 4.0 p-10 -46.2 -39.28 9.52 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 115.623 1.712 . . . . 0.71999999999999997 115.623 -168.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' C ' HD23 ' A' ' 46' ' ' LEU . 1.5 p30 -61.34 -42.75 99.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.521 1.055 . . . . 2.3100000000000001 109.416 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -67.57 -32.49 73.29 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.262 -1.336 . . . . 1.03 111.983 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 57' ' ' ASN . 1.7 m -79.03 -36.56 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 119.411 -0.915 . . . . 1.0700000000000001 110.133 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -71.67 -20.65 61.91 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.224 0.535 . . . . 2.3399999999999999 109.941 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.476 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 88.6 t80 -71.69 -57.37 4.43 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.554 -0.906 . . . . 0.20999999999999999 108.554 167.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.445 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.2 tmt_? -47.41 -62.23 1.53 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.127 -0.942 . . . . 1.8899999999999999 111.839 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.445 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 7.7 p -45.39 -57.04 4.35 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 123.546 0.529 . . . . 1.77 112.375 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.485 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 10.7 t90 -61.06 -51.46 69.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.62 0.248 . . . . 0.28000000000000003 111.563 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.598 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 12.0 t-105 -72.05 -26.16 62.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.308 -0.406 . . . . 0.46000000000000002 111.616 -172.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 16.8 m-80 -93.52 2.65 56.35 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.201 0.524 . . . . 0.51000000000000001 111.183 -175.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 55.3 m -93.49 -18.14 22.63 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.693 0.758 . . . . 1.4299999999999999 109.5 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.73 -67.78 0.97 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.775 -1.102 . . . . 2.2200000000000002 110.684 -174.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 m -92.11 -58.74 2.3 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.535 -1.211 . . . . 1.0900000000000001 112.007 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.614 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.0 mtpt 74.72 21.94 2.07 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 114.444 -1.253 . . . . 1.74 110.166 -172.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.614 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.635 0 O-C-N 124.945 1.403 . . . . 1.71 114.395 172.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.577 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 113.082 0.771 . . . . 1.02 113.082 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -171.5 136.62 1.0 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.35 -0.841 . . . . 2.3700000000000001 109.806 168.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.82 -28.11 2.87 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.871 -0.68 . . . . 1.3899999999999999 113.907 174.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.598 ' HD3' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -80.67 51.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.328 0.585 . . . . 2.3700000000000001 111.791 -177.502 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.94 28.23 73.21 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.302 -0.952 . . . . 1.05 111.117 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 1.2 m -56.05 129.83 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.876 0 CA-C-O 122.356 1.074 . . . . 1.0800000000000001 113.345 -174.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.02 -9.49 15.08 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 113.164 -1.834 . . . . 1.1399999999999999 108.327 172.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.785 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.01 172.09 0.13 Allowed 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.819 -1.082 . . . . 1.8100000000000001 109.088 175.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.603 ' N ' HD13 ' A' ' 19' ' ' LEU . 8.1 t -61.08 169.29 2.08 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.041 -1.037 . . . . 1.22 109.866 172.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.58 -55.88 20.27 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 113.293 0.849 . . . . 2.1499999999999999 113.293 -165.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.6 -56.47 4.79 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.097 -0.241 . . . . 2.0499999999999998 111.639 -171.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.785 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 32.6 mm-40 -45.92 -38.97 8.14 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.934 1.087 . . . . 2.0099999999999998 113.934 -176.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.749 ' CE2' HG23 ' A' ' 40' ' ' VAL . 40.6 t80 -64.22 -57.64 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.116 0.484 . . . . 0.92000000000000004 110.175 -178.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.94 -41.74 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.816 -0.629 . . . . 1.8 110.741 171.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.584 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 7.0 mm-40 -72.24 -18.51 61.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.752 -0.658 . . . . 1.27 112.229 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.658 ' CD2' HG21 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -65.28 -35.44 81.04 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.648 -0.501 . . . . 0.19 109.648 172.34 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 47.6 mtm180 -65.15 -31.67 72.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.575 -0.739 . . . . 3.0699999999999998 109.473 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -77.21 -35.44 55.62 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.676 -0.41 . . . . 0.96999999999999997 110.685 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -53.12 -40.08 63.93 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.617 -0.512 . . . . 0.19 109.617 172.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.679 ' ND2' ' HA ' ' A' ' 37' ' ' ASP . 24.2 t-20 -51.61 -53.13 41.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.524 -0.762 . . . . 2.04 109.997 172.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.11 -60.72 2.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.033 -0.985 . . . . 1.0600000000000001 112.345 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.0 t -60.5 -32.33 71.34 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.68 0.622 . . . . 0.34000000000000002 112.68 -170.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -96.42 -0.33 49.38 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.668 -0.413 . . . . 1.3899999999999999 111.69 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 61.51 21.86 12.41 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.047 -0.524 . . . . 1.8700000000000001 111.668 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -102.48 -168.46 1.53 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.145 -0.687 . . . . 1.0700000000000001 109.145 176.466 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.679 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 24.3 t70 -148.06 47.44 1.07 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.025 -1.102 . . . . 1.0 108.025 177.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.49 152.8 42.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.6 -1.636 . . . . 1.1599999999999999 110.787 -175.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 m -86.18 168.53 13.9 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.806 -0.442 . . . . 0.83999999999999997 109.806 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.749 HG23 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.04 -45.03 97.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.604 -0.438 . . . . 1.0800000000000001 111.372 -172.341 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' ' 45' ' ' MET . 40.1 mt-10 -48.62 -49.97 34.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.678 0.611 . . . . 0.81999999999999995 110.382 -179.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.612 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 19.2 m-20 -54.28 -44.91 72.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.551 . . . . 0.66000000000000003 111.524 176.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.46 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 18.0 t80 -60.2 -52.96 63.08 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.318 0.58 . . . . 0.32000000000000001 109.665 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.666 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 2.6 mt -56.19 -33.76 65.59 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.517 -1.219 . . . . 1.0600000000000001 109.8 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.581 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 92.6 mtp -65.35 -57.57 8.05 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.389 0.431 . . . . 1.9099999999999999 110.841 173.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 21.8 mt -47.1 -51.02 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 1.0600000000000001 111.473 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.805 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -72.06 -40.19 68.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.997 -0.547 . . . . 2.6899999999999999 110.675 -179.175 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.866 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -46.77 -63.48 1.01 Allowed 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 123.288 0.635 . . . . 0.64000000000000001 110.774 173.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 45' ' ' MET . 7.0 mtt180 -55.38 -51.03 68.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.069 0.462 . . . . 0.92000000000000004 110.619 -173.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.45 -53.4 54.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.811 -1.086 . . . . 1.1899999999999999 111.2 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.44 ' HB1' ' NH2' ' A' ' 47' ' ' ARG . . . -63.22 -41.37 99.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.121 0.786 . . . . 1.25 113.121 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.866 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -83.63 -70.65 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.996 -0.282 . . . . 1.0900000000000001 110.46 -172.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.85 33.73 0.02 OUTLIER Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.238 -0.982 . . . . 0.55000000000000004 113.24 174.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -114.16 139.76 49.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.478 -0.425 . . . . 1.0800000000000001 110.185 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -119.7 46.7 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.305 0.483 . . . . 1.9299999999999999 112.305 -171.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' O ' HG12 ' A' ' 60' ' ' VAL . 12.6 t70 -75.27 134.28 41.13 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.539 -0.541 . . . . 0.93000000000000005 109.539 171.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.432 ' O ' HG23 ' A' ' 60' ' ' VAL . 3.4 p-10 -43.26 -42.94 4.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 115.819 1.785 . . . . 0.71999999999999997 115.819 -170.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.445 ' C ' HD21 ' A' ' 46' ' ' LEU . 9.4 p30 -63.15 -37.9 89.04 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.554 -0.858 . . . . 2.3100000000000001 109.57 -176.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.03 -35.33 74.24 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.067 -1.424 . . . . 1.03 111.981 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 57' ' ' ASN . 2.2 m -76.96 -35.94 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 119.681 -0.808 . . . . 1.0700000000000001 110.206 -176.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -74.27 -20.08 60.27 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.252 0.548 . . . . 2.3399999999999999 110.375 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.47 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 78.2 t80 -70.82 -52.87 17.72 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.691 -0.855 . . . . 0.20999999999999999 108.691 168.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.35 -60.79 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.273 -0.876 . . . . 1.8899999999999999 111.218 177.352 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.2 p -46.89 -44.67 19.85 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.679 0.622 . . . . 1.77 112.679 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.488 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 22.1 t90 -73.15 -54.92 7.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.602 0.239 . . . . 0.28000000000000003 111.434 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.584 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 10.8 t-105 -70.04 -25.64 63.65 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 122.897 0.479 . . . . 0.46000000000000002 111.471 -170.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.485 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 26.1 m-80 -94.53 0.3 55.16 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.061 0.458 . . . . 0.51000000000000001 111.807 -174.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.3 m -92.44 -16.16 26.24 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.949 0.881 . . . . 1.4299999999999999 109.306 174.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -65.83 1.15 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.211 -1.359 . . . . 2.2200000000000002 110.669 -175.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.9 m -94.94 -61.07 1.55 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.761 -1.109 . . . . 1.0900000000000001 112.214 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.521 ' C ' ' HG3' ' A' ' 72' ' ' MET . 34.6 mtpt 77.68 29.0 0.53 Allowed 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 114.265 -1.334 . . . . 1.74 109.787 -172.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.577 ' HB3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.366 0 CA-C-N 113.626 -1.624 . . . . 1.71 115.117 173.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.621 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.2 m-85 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.702 -0.481 . . . . 1.02 109.702 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.489 ' CD ' ' HB3' ' A' ' 41' ' ' GLU . 12.8 ttt180 -151.44 146.4 25.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 2.3700000000000001 109.722 164.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 80.28 -31.78 2.34 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.147 -0.549 . . . . 1.3899999999999999 114.254 173.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.621 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -79.23 47.24 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.31 0.485 . . . . 2.3700000000000001 112.31 -175.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.31 29.74 75.44 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.355 -0.926 . . . . 1.05 110.903 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -50.16 127.24 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 N-CA-C 113.633 0.975 . . . . 1.0800000000000001 113.633 -174.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.53 -14.59 15.24 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 113.643 -1.617 . . . . 1.1399999999999999 108.748 174.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.758 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.72 176.14 0.14 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.01 -0.996 . . . . 1.8100000000000001 108.923 175.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.673 ' N ' HD13 ' A' ' 19' ' ' LEU . 13.3 t -62.43 174.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 120.969 -1.082 . . . . 1.22 109.883 171.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.5 -57.16 7.91 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.527 0.566 . . . . 2.1499999999999999 112.527 -168.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.43 -63.42 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.881 0.326 . . . . 2.0499999999999998 111.881 -174.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.758 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 14.8 mm-40 -46.24 -36.63 6.31 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.325 1.231 . . . . 2.0099999999999998 114.325 -171.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.76 ' CE2' HG21 ' A' ' 40' ' ' VAL . 25.1 t80 -64.55 -53.56 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.795 0.807 . . . . 0.92000000000000004 109.274 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -59.13 -39.09 81.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.845 -1.07 . . . . 1.8 110.559 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.535 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 12.1 mm-40 -71.17 -19.08 62.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.502 -0.772 . . . . 1.27 111.519 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CD2' HG22 ' A' ' 40' ' ' VAL . 1.1 t90 -66.2 -36.62 83.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.741 -0.466 . . . . 0.19 109.741 172.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.76 -40.64 80.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.474 -0.785 . . . . 3.0699999999999998 109.423 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.24 -41.11 70.57 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.984 -0.553 . . . . 0.96999999999999997 110.767 174.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -50.09 -42.02 49.38 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.483 -0.326 . . . . 0.19 110.297 174.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.642 ' OD1' ' HA ' ' A' ' 37' ' ' ASP . 9.5 t30 -55.75 -47.83 76.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.557 -0.747 . . . . 2.04 110.547 176.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.49 -59.67 3.19 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.225 -0.898 . . . . 1.0600000000000001 111.824 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.5 t -60.49 -35.41 75.84 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.243 0.831 . . . . 0.34000000000000002 113.243 -171.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.509 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 25.3 mmm180 -94.0 3.98 54.57 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.418 -0.513 . . . . 1.3899999999999999 111.717 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 56.75 30.78 18.26 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.813 -0.63 . . . . 1.8700000000000001 111.728 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.581 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -110.53 -168.48 1.32 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.644 -0.707 . . . . 1.0700000000000001 109.454 176.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.642 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 14.5 t70 -145.74 59.0 1.25 Allowed 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.868 -1.16 . . . . 1.0 107.868 177.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.96 150.39 23.48 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.297 -1.32 . . . . 1.1599999999999999 110.035 -173.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.9 m -86.34 168.66 13.65 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.863 -0.335 . . . . 0.83999999999999997 110.129 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.76 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.34 -44.45 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 C-N-CA 120.963 -0.295 . . . . 1.0800000000000001 110.944 -173.308 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.489 ' HB3' ' CD ' ' A' ' 13' ' ' ARG . 48.1 mt-10 -46.93 -53.11 12.98 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 123.888 0.742 . . . . 0.81999999999999995 110.83 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.545 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 5.1 m-20 -52.75 -47.29 67.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.596 -0.729 . . . . 0.66000000000000003 111.379 176.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 13.0 t80 -58.25 -54.36 47.88 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.209 0.528 . . . . 0.32000000000000001 109.974 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 3.1 mt -53.16 -35.57 59.91 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 114.534 -1.212 . . . . 1.0600000000000001 109.96 -176.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.557 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 68.6 mtm -68.22 -52.89 29.09 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.422 0.451 . . . . 1.9099999999999999 110.75 175.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 29.3 mt -48.41 -54.2 14.9 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.301 -0.409 . . . . 1.0600000000000001 111.503 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.48 HH11 HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -66.01 -43.13 88.59 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 116.224 -0.444 . . . . 2.6899999999999999 110.462 -179.455 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.835 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.4 m170 -45.3 -62.7 1.16 Allowed 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.757 -0.656 . . . . 0.64000000000000001 111.191 173.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 45' ' ' MET . 2.3 mtt180 -58.86 -45.98 88.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.161 0.505 . . . . 0.92000000000000004 110.888 -174.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.28 -56.84 16.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.05 -0.977 . . . . 1.1899999999999999 111.044 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.16 78.91 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.51 0.559 . . . . 1.25 112.51 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.835 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.3 mt -77.83 -71.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.053 -0.259 . . . . 1.0900000000000001 110.508 -171.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.5 46.65 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.049 -1.072 . . . . 0.55000000000000004 113.283 174.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 49' ' ' ARG . . . -124.14 141.17 52.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.733 -0.469 . . . . 1.0800000000000001 109.733 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -116.78 43.34 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.516 0.562 . . . . 1.9299999999999999 112.516 -171.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -66.58 127.46 32.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.976 -0.75 . . . . 0.93000000000000005 108.976 169.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.558 ' O ' HG22 ' A' ' 60' ' ' VAL . 4.4 p-10 -47.62 -34.89 8.51 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 115.412 1.634 . . . . 0.71999999999999997 115.412 -170.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.4 ' C ' HD21 ' A' ' 46' ' ' LEU . 2.6 m-20 -63.69 -41.56 98.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 119.146 0.884 . . . . 2.3100000000000001 108.93 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.03 75.71 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.996 -1.456 . . . . 1.03 111.99 176.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 57' ' ' ASN . 3.1 m -75.48 -36.46 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 119.642 -0.823 . . . . 1.0700000000000001 110.14 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -72.67 -23.46 60.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 116.08 -0.509 . . . . 2.3399999999999999 110.608 175.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -67.6 -55.4 13.53 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.421 -0.955 . . . . 0.20999999999999999 108.421 169.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.65 -60.99 2.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.838 -1.074 . . . . 1.8899999999999999 111.851 177.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.6 p -45.92 -47.4 16.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.75 0.648 . . . . 1.77 112.75 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.588 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.6 t90 -73.19 -50.2 23.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.457 -0.338 . . . . 0.28000000000000003 111.556 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.535 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 11.3 t-105 -73.61 -25.82 60.5 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.589 0.356 . . . . 0.46000000000000002 111.588 -172.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 20.2 m-80 -92.12 -1.79 56.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.921 0.391 . . . . 0.51000000000000001 111.566 -176.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -94.54 -15.55 24.03 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 121.62 0.724 . . . . 1.4299999999999999 109.265 174.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.1 ptp180 -114.25 -59.93 1.95 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.081 -0.963 . . . . 2.2200000000000002 111.158 -174.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.487 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 10.7 m -105.04 -59.26 1.77 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.557 -1.201 . . . . 1.0900000000000001 112.019 -172.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.534 ' C ' ' HG3' ' A' ' 72' ' ' MET . 49.2 mtpt 75.72 26.4 1.08 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 114.519 -1.219 . . . . 1.74 109.642 -173.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.534 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.393 0 CA-C-N 113.418 -1.719 . . . . 1.71 115.057 172.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.584 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 0.9 OUTLIER . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 114.504 1.298 . . . . 1.02 114.504 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.492 ' HG2' ' N ' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -167.76 141.89 3.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.088 -1.414 . . . . 2.3700000000000001 109.329 163.507 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.492 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 79.81 -28.7 2.45 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 120.973 -0.632 . . . . 1.3899999999999999 114.055 173.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.584 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -77.89 47.14 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.143 0.497 . . . . 2.3700000000000001 111.944 -177.368 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.44 31.63 77.25 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.694 -0.963 . . . . 1.05 110.694 -175.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.575 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -53.1 128.91 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 CA-C-O 122.176 0.988 . . . . 1.0800000000000001 113.104 -176.806 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.89 -11.27 14.69 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 113.342 -1.753 . . . . 1.1399999999999999 108.672 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.766 HD13 ' N ' ' A' ' 20' ' ' THR . 3.5 tm? 61.29 171.34 0.11 Allowed 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.736 -1.12 . . . . 1.8100000000000001 109.143 175.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.766 ' N ' HD13 ' A' ' 19' ' ' LEU . 9.0 t -64.05 178.29 0.68 Allowed 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.762 -1.211 . . . . 1.22 110.386 172.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.51 -57.3 7.61 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.95 0.722 . . . . 2.1499999999999999 112.95 -168.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.58 -60.18 2.41 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 111.81 0.3 . . . . 2.0499999999999998 111.81 -171.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.503 ' CB ' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -45.61 -39.58 7.87 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.208 1.188 . . . . 2.0099999999999998 114.208 -175.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.745 ' CE2' HG22 ' A' ' 40' ' ' VAL . 35.7 t80 -66.89 -56.06 11.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.356 0.526 . . . . 0.92000000000000004 110.203 -177.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -52.74 -38.92 61.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.603 0.716 . . . . 1.8 110.888 171.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.641 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 10.1 mm-40 -74.97 -20.82 59.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.838 -0.619 . . . . 1.27 111.938 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.64 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.72 -35.68 81.84 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.488 -0.56 . . . . 0.19 109.488 173.437 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 17.6 mtm180 -60.84 -40.41 92.76 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.328 -0.851 . . . . 3.0699999999999998 108.73 176.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.37 -37.29 74.55 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.185 -0.461 . . . . 0.96999999999999997 110.906 174.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -51.24 -41.15 60.14 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.286 -0.265 . . . . 0.19 110.286 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.53 ' HA ' HD12 ' A' ' 36' ' ' LEU . 30.8 m-80 -55.5 -50.17 70.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.164 0.507 . . . . 2.04 110.299 175.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.88 -60.57 2.91 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.394 -0.821 . . . . 1.0600000000000001 111.903 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -61.22 -37.86 84.56 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.88 0.696 . . . . 0.34000000000000002 112.88 -171.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -93.26 0.5 57.05 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.39 -0.524 . . . . 1.3899999999999999 111.614 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 59.79 27.96 17.35 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.373 0.606 . . . . 1.8700000000000001 111.926 171.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -108.09 -170.45 1.69 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.455 -0.793 . . . . 1.0700000000000001 109.649 176.184 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -141.64 49.15 1.61 Allowed 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 107.919 -1.141 . . . . 1.0 107.919 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.17 149.62 30.45 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 113.976 -1.465 . . . . 1.1599999999999999 110.513 -173.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 m -84.89 168.57 14.92 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.333 -0.618 . . . . 0.83999999999999997 109.333 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.745 HG22 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.48 -44.33 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 C-N-CA 120.589 -0.444 . . . . 1.0800000000000001 110.515 -175.154 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.49 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 44.9 mt-10 -49.06 -49.71 40.1 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 123.644 0.59 . . . . 0.81999999999999995 110.8 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.54 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 39.2 m-20 -54.55 -44.83 73.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.49 . . . . 0.66000000000000003 110.982 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 4.3 t80 -60.12 -54.25 48.11 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.192 0.52 . . . . 0.32000000000000001 109.699 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 3.1 mt -55.1 -30.8 60.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.618 -1.174 . . . . 1.0600000000000001 110.214 -175.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.539 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 73.3 mtm -71.4 -56.64 5.57 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.643 0.589 . . . . 1.9099999999999999 111.713 173.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 22.8 mt -48.56 -52.5 22.44 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.438 0.637 . . . . 1.0600000000000001 110.398 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -56.34 -56.84 16.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.709 -1.132 . . . . 2.6899999999999999 110.594 175.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.844 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.06 -62.34 0.65 Allowed 'General case' 0 C--O 1.212 -0.876 0 O-C-N 124.349 1.031 . . . . 0.64000000000000001 111.954 175.684 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 45' ' ' MET . 24.4 mtt-85 -59.83 -39.86 86.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.971 0.415 . . . . 0.92000000000000004 110.973 -172.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.45 -53.76 50.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.525 -0.761 . . . . 1.1899999999999999 110.866 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.74 -49.31 77.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.044 0.757 . . . . 1.25 113.044 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.844 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 11.6 mt -80.23 -70.23 0.54 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.493 -0.321 . . . . 1.0900000000000001 110.741 -170.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.7 35.87 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 119.817 -1.182 . . . . 0.55000000000000004 113.755 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -115.66 144.67 43.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.293 0.547 . . . . 1.0800000000000001 110.247 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -118.91 47.9 1.57 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.245 -0.434 . . . . 1.9299999999999999 112.162 -173.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.49 126.46 29.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.813 -0.81 . . . . 0.93000000000000005 108.813 167.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.616 ' O ' HG23 ' A' ' 60' ' ' VAL . 4.5 p-10 -41.03 -45.03 2.55 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 115.264 1.579 . . . . 0.71999999999999997 115.264 -172.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.465 ' C ' HD22 ' A' ' 46' ' ' LEU . 17.0 m-20 -64.24 -34.84 79.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 119.267 0.94 . . . . 2.3100000000000001 109.869 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 49' ' ' ARG . . . -69.11 -35.81 76.84 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.483 -1.235 . . . . 1.03 111.324 174.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 57' ' ' ASN . 2.7 m -74.38 -36.45 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 119.947 -0.701 . . . . 1.0700000000000001 109.997 -177.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -67.27 -36.15 80.98 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.997 -0.547 . . . . 2.3399999999999999 110.17 175.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.465 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 74.7 t80 -60.78 -54.75 41.37 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.958 -0.756 . . . . 0.20999999999999999 108.958 173.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.498 ' HA ' HD21 ' A' ' 67' ' ' ASN . 0.6 OUTLIER -51.01 -60.29 3.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.25 -0.886 . . . . 1.8899999999999999 111.145 176.54 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.8 m -43.21 -43.89 4.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.875 0.695 . . . . 1.77 112.875 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.546 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.6 t90 -81.33 -48.52 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.029 0.442 . . . . 0.28000000000000003 111.704 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.641 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 40.3 t-105 -77.53 -23.34 50.18 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.149 -0.478 . . . . 0.46000000000000002 111.925 -171.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.498 HD21 ' HA ' ' A' ' 63' ' ' ARG . 17.9 m-80 -95.22 -0.32 53.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.119 0.485 . . . . 0.51000000000000001 111.29 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.0 m -93.32 -14.99 26.25 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.646 0.736 . . . . 1.4299999999999999 109.147 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.7 ptp180 -114.08 -61.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.015 -0.993 . . . . 2.2200000000000002 110.864 -175.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.544 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 24.2 m -100.75 -59.69 1.66 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.756 -1.111 . . . . 1.0900000000000001 111.925 -174.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.616 ' C ' ' HG3' ' A' ' 72' ' ' MET . 40.8 mtpt 76.73 17.86 1.73 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 114.302 -1.317 . . . . 1.74 110.191 -172.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.616 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.501 0 CA-C-N 113.813 -1.539 . . . . 1.71 114.979 171.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.564 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-85 . . . . . 0 CA--C 1.517 -0.314 0 N-CA-C 110.154 -0.313 . . . . 1.02 110.154 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 26.2 ttp85 -160.12 146.27 15.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.623 -0.717 . . . . 2.3700000000000001 109.798 170.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.27 45.68 93.86 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.002 -0.618 . . . . 1.3899999999999999 112.907 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.564 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -153.92 40.29 0.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.572 0.701 . . . . 2.3700000000000001 110.489 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.75 27.47 70.79 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.419 -0.896 . . . . 1.05 110.927 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -56.79 128.54 17.35 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.837 0 CA-C-O 122.146 0.974 . . . . 1.0800000000000001 112.865 -177.113 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.81 -8.24 14.93 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 113.343 -1.753 . . . . 1.1399999999999999 108.424 173.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.782 HD12 ' N ' ' A' ' 20' ' ' THR . 3.4 tm? 59.95 173.46 0.09 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 114.64 -1.163 . . . . 1.8100000000000001 109.215 175.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.782 ' N ' HD12 ' A' ' 19' ' ' LEU . 15.3 t -61.33 172.95 0.98 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.78 -1.2 . . . . 1.22 109.941 172.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.71 -57.19 7.63 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.237 0.828 . . . . 2.1499999999999999 113.237 -168.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.39 -62.79 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.093 0.473 . . . . 2.0499999999999998 111.697 -174.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.533 ' HG2' HH11 ' A' ' 47' ' ' ARG . 0.5 OUTLIER -45.49 -40.93 9.03 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.768 1.396 . . . . 2.0099999999999998 114.768 -175.349 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.8 ' CE2' HG22 ' A' ' 40' ' ' VAL . 36.5 t80 -65.29 -58.14 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.663 0.665 . . . . 0.92000000000000004 110.507 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.05 -49.01 52.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.429 0.633 . . . . 1.8 111.232 172.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.549 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 42.3 mt-10 -71.15 -15.99 62.52 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.62 -0.718 . . . . 1.27 112.202 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.635 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -62.87 -38.03 89.26 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.575 -0.528 . . . . 0.19 109.575 168.686 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 68.6 mtm180 -60.98 -35.11 75.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.769 -0.65 . . . . 3.0699999999999998 109.427 177.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -74.62 -36.64 62.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.763 -0.653 . . . . 0.96999999999999997 110.508 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.7 t-160 -53.54 -40.3 65.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.19 110.196 173.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.593 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 10.9 m120 -53.26 -52.68 58.23 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.071 0.463 . . . . 2.04 110.444 173.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.2 -60.56 3.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.2 -0.909 . . . . 1.0600000000000001 112.087 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.8 t -64.96 -26.89 68.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.306 0.854 . . . . 0.34000000000000002 113.306 -169.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -99.99 1.64 42.74 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.268 -0.573 . . . . 1.3899999999999999 112.245 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 54.47 58.4 4.95 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.444 -0.798 . . . . 1.8700000000000001 110.759 177.172 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.593 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -145.26 -179.33 6.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.153 -0.931 . . . . 1.0700000000000001 108.524 -177.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -137.51 46.1 2.15 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.841 -1.17 . . . . 1.0 107.841 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.54 148.32 39.0 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 113.778 -1.555 . . . . 1.1599999999999999 110.129 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -87.98 170.84 10.78 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.473 -0.566 . . . . 0.83999999999999997 109.473 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.8 HG22 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.03 -42.78 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 120.634 -0.426 . . . . 1.0800000000000001 110.824 -172.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 45' ' ' MET . 32.1 mt-10 -48.46 -50.54 30.97 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.765 0.666 . . . . 0.81999999999999995 110.776 -178.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.485 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.9 m-20 -55.07 -46.65 75.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.66000000000000003 111.953 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.635 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 4.9 t80 -57.58 -53.39 58.72 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.42 0.629 . . . . 0.32000000000000001 109.917 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 3.3 mt -52.03 -35.18 46.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.157 -1.383 . . . . 1.0600000000000001 109.961 -176.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.523 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 53.1 mtm -65.85 -57.27 8.3 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.827 0.705 . . . . 1.9099999999999999 110.819 175.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 20.2 mt -48.0 -56.02 8.67 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.724 -0.671 . . . . 1.0600000000000001 111.113 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.6 ' NE ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -61.74 -50.14 73.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.158 -0.928 . . . . 2.6899999999999999 110.94 -179.86 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.851 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 7.0 m170 -40.08 -61.0 0.94 Allowed 'General case' 0 C--O 1.216 -0.666 0 O-C-N 123.759 0.662 . . . . 0.64000000000000001 111.134 173.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 45' ' ' MET . 17.3 mtt180 -58.63 -43.25 89.65 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.911 0.386 . . . . 0.92000000000000004 110.888 -172.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.23 -55.85 28.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.658 -0.701 . . . . 1.1899999999999999 111.121 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.91 71.48 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.085 0.554 . . . . 1.25 112.279 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.851 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.6 mt -80.0 -71.15 0.47 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.209 -0.45 . . . . 1.0900000000000001 110.894 -171.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.27 47.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.632 -0.794 . . . . 0.55000000000000004 112.388 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.454 ' HB1' ' HB3' ' A' ' 49' ' ' ARG . . . -129.11 146.44 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.667 -0.314 . . . . 1.0800000000000001 110.2 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -123.77 48.29 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.795 0.665 . . . . 1.9299999999999999 112.795 -171.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.16 130.43 43.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.318 -0.623 . . . . 0.93000000000000005 109.318 167.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.672 ' O ' HG21 ' A' ' 60' ' ' VAL . 4.1 p-10 -44.26 -43.51 7.35 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 115.227 1.566 . . . . 0.71999999999999997 115.227 -171.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' C ' HD21 ' A' ' 46' ' ' LEU . 34.9 m-20 -65.85 -35.32 80.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 119.343 0.974 . . . . 2.3100000000000001 109.318 -177.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.0 -34.84 78.64 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.316 -1.311 . . . . 1.03 111.327 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.672 HG21 ' O ' ' A' ' 57' ' ' ASN . 2.9 m -75.23 -39.04 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 C-N-CA 120.068 -0.653 . . . . 1.0700000000000001 110.2 -177.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -64.2 -36.99 85.86 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.995 -0.548 . . . . 2.3399999999999999 109.832 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.0 -56.45 20.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.162 -0.926 . . . . 0.20999999999999999 109.177 174.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.474 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -49.44 -61.5 2.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.132 -0.94 . . . . 1.8899999999999999 111.428 177.387 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.432 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 62.9 m -49.84 -47.86 51.37 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.841 0.682 . . . . 1.77 112.841 -177.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.491 ' CE3' ' HB2' ' A' ' 66' ' ' TRP . 7.5 t90 -68.84 -50.92 45.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.968 0.413 . . . . 0.28000000000000003 111.414 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.549 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 20.6 t-105 -73.59 -24.46 60.07 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.117 -0.492 . . . . 0.46000000000000002 112.07 -172.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 14.6 m-80 -92.26 -0.94 57.38 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 120.99 0.424 . . . . 0.51000000000000001 111.611 -175.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.6 m -94.63 -16.11 23.45 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.635 0.731 . . . . 1.4299999999999999 109.162 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 8.0 ptp180 -113.91 -63.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.953 -1.022 . . . . 2.2200000000000002 111.322 -173.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.435 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 44.6 m -100.95 -56.59 2.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.164 -0.926 . . . . 1.0900000000000001 111.596 -175.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.608 ' C ' ' HG3' ' A' ' 72' ' ' MET . 47.4 mtpt 74.41 22.61 2.12 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.226 -1.352 . . . . 1.74 110.239 -172.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.608 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.651 0 CA-C-N 114.014 -1.448 . . . . 1.71 114.824 172.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.608 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.7 m-85 . . . . . 0 CA--C 1.515 -0.375 0 CA-C-O 120.817 0.342 . . . . 1.02 110.103 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.519 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 25.4 ttp180 -161.06 146.62 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.46 -0.791 . . . . 2.3700000000000001 109.569 168.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.454 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 67.18 34.82 87.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.482 -0.866 . . . . 1.3899999999999999 112.695 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.608 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -145.19 37.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.189 0.518 . . . . 2.3700000000000001 110.98 179.462 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.32 28.16 71.74 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.394 -0.907 . . . . 1.05 110.87 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG22 HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -52.39 132.6 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 CA-C-O 121.922 0.868 . . . . 1.0800000000000001 112.713 -178.462 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.97 -7.06 14.57 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 113.905 -1.498 . . . . 1.1399999999999999 108.963 175.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.67 HD22 ' N ' ' A' ' 24' ' ' TYR . 64.0 tp 57.49 -172.95 0.08 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 114.76 -1.109 . . . . 1.8100000000000001 109.988 177.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.561 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -78.21 161.13 27.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.66 -0.867 . . . . 1.22 108.66 170.697 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -58.52 -57.06 14.6 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.897 0.703 . . . . 2.1499999999999999 112.897 -166.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -64.99 -57.79 7.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.613 -0.267 . . . . 2.0499999999999998 111.232 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' HB2' HG22 ' A' ' 20' ' ' THR . 5.2 mp0 -46.87 -42.9 18.2 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.925 0.713 . . . . 2.0099999999999998 112.925 -177.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.919 ' CE2' HG23 ' A' ' 40' ' ' VAL . 25.9 t80 -65.68 -53.44 41.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.311 0.577 . . . . 0.92000000000000004 110.082 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -52.08 -44.99 64.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.788 -0.642 . . . . 1.8 110.859 171.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.479 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 10.4 mm-40 -68.65 -19.83 64.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.865 -0.607 . . . . 1.27 111.836 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.593 ' CD2' HG21 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -63.73 -38.15 90.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.751 -0.463 . . . . 0.19 109.751 172.676 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -63.38 -33.54 75.77 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.434 -0.803 . . . . 3.0699999999999998 109.614 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.8 -40.57 63.29 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.265 -0.425 . . . . 0.96999999999999997 110.465 173.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 9.9 t-160 -50.44 -43.69 55.19 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.254 -0.43 . . . . 0.19 111.114 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.484 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 7.0 t30 -58.5 -45.48 88.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.17 0.509 . . . . 2.04 109.901 177.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.26 -61.04 2.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.297 -0.865 . . . . 1.0600000000000001 112.181 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -57.93 -45.47 86.52 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.644 0.609 . . . . 0.34000000000000002 112.644 -172.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 22.5 mmm180 -84.1 -3.38 58.04 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.698 -0.401 . . . . 1.3899999999999999 111.523 -176.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 58.59 32.72 22.46 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.684 -0.689 . . . . 1.8700000000000001 111.504 173.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD12 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.99 -167.15 1.16 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.88 -0.6 . . . . 1.0700000000000001 109.86 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -141.21 107.34 5.21 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.69 -0.855 . . . . 1.0 108.69 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 36' ' ' LEU . 1.8 pt? -141.79 159.1 42.91 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.537 0.684 . . . . 1.1599999999999999 111.204 -178.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -93.95 178.05 5.78 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.605 -1.179 . . . . 0.83999999999999997 108.53 172.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.919 HG23 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -69.12 -41.12 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 C-N-CA 119.825 -0.75 . . . . 1.0800000000000001 110.412 -173.583 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.519 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 25.0 mt-10 -49.28 -48.11 46.27 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.68 0.612 . . . . 0.81999999999999995 110.35 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.47 ' HA ' ' HE3' ' A' ' 45' ' ' MET . 5.4 m-20 -56.4 -43.59 79.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.463 -0.789 . . . . 0.66000000000000003 111.59 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.539 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 27.3 t80 -60.67 -51.63 68.58 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.451 0.643 . . . . 0.32000000000000001 109.78 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.64 ' CD2' HD23 ' A' ' 19' ' ' LEU . 2.0 mt -56.57 -32.31 65.06 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 114.191 -1.368 . . . . 1.0600000000000001 109.931 -173.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.616 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 69.3 mtm -65.21 -58.58 5.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.842 0.714 . . . . 1.9099999999999999 111.016 175.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.47 HD22 ' C ' ' A' ' 58' ' ' ASP . 16.1 mt -50.52 -54.0 25.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.982 -0.554 . . . . 1.0600000000000001 111.084 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -58.08 -54.39 47.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.284 -0.871 . . . . 2.6899999999999999 110.823 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.883 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -41.92 -63.07 0.79 Allowed 'General case' 0 C--O 1.216 -0.699 0 O-C-N 123.828 0.705 . . . . 0.64000000000000001 111.474 175.497 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.616 ' HG3' ' O ' ' A' ' 45' ' ' MET . 21.1 mtt-85 -57.0 -46.48 82.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.763 0.316 . . . . 0.92000000000000004 110.712 -171.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.36 -54.23 49.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.504 -0.771 . . . . 1.1899999999999999 111.066 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.08 78.81 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.679 0.622 . . . . 1.25 112.679 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.883 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 17.8 mt -82.69 -72.62 0.44 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.363 -0.381 . . . . 1.0900000000000001 110.244 -175.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.08 13.47 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.491 -0.862 . . . . 0.55000000000000004 113.013 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.433 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -90.39 135.78 33.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.928 0.394 . . . . 1.0800000000000001 111.275 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -112.07 45.62 1.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.492 0.553 . . . . 1.9299999999999999 112.492 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.682 ' O ' HG12 ' A' ' 60' ' ' VAL . 9.5 t70 -61.0 158.29 13.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.104 -1.073 . . . . 0.93000000000000005 108.104 166.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.515 ' O ' HG21 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -79.4 -39.46 32.44 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 117.56 -1.656 . . . . 0.71999999999999997 111.199 -164.347 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.47 ' C ' HD22 ' A' ' 46' ' ' LEU . 9.4 m-20 -62.86 -30.27 71.38 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.826 -0.805 . . . . 2.3100000000000001 108.826 -178.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.2 -40.31 62.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.498 -1.228 . . . . 1.03 111.626 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 56' ' ' ASP . 7.7 m -73.59 -33.91 40.38 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.204 0 C-N-CA 119.992 -0.683 . . . . 1.0700000000000001 110.195 -178.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -71.58 -33.82 69.39 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.137 -0.483 . . . . 2.3399999999999999 110.121 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.402 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 76.1 t80 -60.06 -54.9 40.47 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.06 -0.719 . . . . 0.20999999999999999 109.06 171.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.65 -59.1 4.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.748 -1.115 . . . . 1.8899999999999999 110.778 175.922 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 t -40.87 -51.26 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.008 0.817 . . . . 1.77 112.156 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.519 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 7.7 t90 -76.67 -51.1 12.14 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.831 0.308 . . . . 0.28000000000000003 111.831 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.585 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 32.4 t-105 -73.8 -23.02 59.63 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.374 0.27 . . . . 0.46000000000000002 111.72 -169.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 11.4 m-80 -92.03 -3.31 55.96 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.272 0.558 . . . . 0.51000000000000001 110.685 -174.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 m -92.49 -17.09 24.98 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 121.483 0.659 . . . . 1.4299999999999999 109.846 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.48 -64.04 1.36 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.84 -1.073 . . . . 2.2200000000000002 111.212 -175.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.8 m -103.58 -57.66 2.0 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.897 -1.047 . . . . 1.0900000000000001 112.644 -172.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.556 ' C ' ' HG3' ' A' ' 72' ' ' MET . 49.1 mtpt 75.94 21.98 1.51 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 114.756 -1.111 . . . . 1.74 110.588 -176.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.585 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.315 0 CA-C-N 114.629 -1.169 . . . . 1.71 113.452 176.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.598 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.3 m-85 . . . . . 0 CA--C 1.514 -0.419 0 CA-C-O 121.192 0.52 . . . . 1.02 110.79 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' A' ' 14' ' ' GLY . 32.3 ttp180 -168.13 158.53 10.31 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.819 -1.082 . . . . 2.3700000000000001 108.816 171.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 67.8 21.07 72.9 Favored Glycine 0 N--CA 1.454 -0.112 0 C-N-CA 120.514 -0.85 . . . . 1.3899999999999999 112.142 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.598 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -139.99 -166.57 2.12 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.921 -0.77 . . . . 2.3700000000000001 108.921 178.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.35 57.29 1.57 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.455 -0.879 . . . . 1.05 111.168 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.418 HG11 ' HG3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -72.08 125.36 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-O 122.211 1.005 . . . . 1.0800000000000001 112.706 -178.531 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.01 -3.41 20.1 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 113.264 -1.789 . . . . 1.1399999999999999 108.145 172.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.59 HD23 ' CD2' ' A' ' 44' ' ' LEU . 52.4 tp 55.28 -99.86 0.1 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 113.912 -1.494 . . . . 1.8100000000000001 110.987 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.58 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 41.4 p -128.44 -176.04 3.7 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.459 -0.791 . . . . 1.22 109.531 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -79.56 -39.23 32.32 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 119.678 -0.809 . . . . 2.1499999999999999 109.185 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -86.97 -62.95 1.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.594 -0.73 . . . . 2.0499999999999998 112.414 -171.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HG2' ' NH1' ' A' ' 47' ' ' ARG . 30.1 mp0 -58.9 -37.47 76.68 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 112.89 0.7 . . . . 2.0099999999999998 112.89 -173.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.757 ' CE2' HG23 ' A' ' 40' ' ' VAL . 40.2 t80 -60.18 -57.35 13.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.59 -0.522 . . . . 0.92000000000000004 109.59 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -45.47 -46.24 13.54 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.301 0.572 . . . . 1.8 111.695 167.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.543 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.8 mm-40 -73.19 -18.72 61.23 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.296 0.48 . . . . 1.27 112.296 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CD2' HG21 ' A' ' 40' ' ' VAL . 1.9 t90 -62.34 -39.19 92.29 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 109.231 -0.655 . . . . 0.19 109.231 171.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 44.4 mtm180 -61.41 -37.16 82.48 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.008 -0.996 . . . . 3.0699999999999998 109.835 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.06 -33.16 63.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.318 -0.401 . . . . 0.96999999999999997 110.341 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 12.9 t-160 -56.66 -36.18 69.25 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.788 -0.449 . . . . 0.19 109.788 173.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.551 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 14.4 m120 -56.99 -50.6 72.18 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.601 0.563 . . . . 2.04 110.031 175.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.12 -60.52 2.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.218 -0.901 . . . . 1.0600000000000001 112.214 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 t -62.6 -42.32 99.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.47 0.545 . . . . 0.34000000000000002 112.47 -169.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -87.15 4.14 43.53 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.575 -0.45 . . . . 1.3899999999999999 112.102 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 54.14 55.79 7.81 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 114.975 -1.011 . . . . 1.8700000000000001 111.605 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -143.14 -178.33 5.79 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.647 -0.872 . . . . 1.0700000000000001 108.647 -177.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.406 ' HA ' HD21 ' A' ' 31' ' ' ASN . 26.8 t0 -136.58 36.54 2.68 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.781 -1.192 . . . . 1.0 107.781 -176.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.52 145.63 53.77 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 113.745 -1.57 . . . . 1.1599999999999999 110.518 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.8 m -81.83 177.45 8.87 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.007 -0.542 . . . . 0.83999999999999997 109.949 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.757 HG23 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -71.25 -44.77 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 C-N-CA 120.106 -0.637 . . . . 1.0800000000000001 110.836 -172.613 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.587 ' O ' ' HG3' ' A' ' 45' ' ' MET . 46.3 mt-10 -49.21 -46.93 46.46 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 123.404 0.44 . . . . 0.81999999999999995 110.381 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.541 ' HA ' ' HE1' ' A' ' 45' ' ' MET . 3.3 m-20 -55.17 -45.2 75.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.958 -0.564 . . . . 0.66000000000000003 111.889 176.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.516 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 13.5 t80 -58.12 -50.6 72.94 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.558 0.694 . . . . 0.32000000000000001 109.412 176.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.59 ' CD2' HD23 ' A' ' 19' ' ' LEU . 2.5 mt -60.4 -27.25 67.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.308 -1.315 . . . . 1.0600000000000001 109.842 -174.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.587 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 30.0 mtm -66.81 -59.46 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 1.9099999999999999 110.112 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 13.8 mt -52.04 -49.57 63.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.011 -0.995 . . . . 1.0600000000000001 111.216 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.568 ' CD ' HD12 ' A' ' 19' ' ' LEU . 7.1 ttt85 -60.94 -60.33 3.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.056 -0.974 . . . . 2.6899999999999999 110.933 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.898 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 9.8 m170 -42.71 -57.51 2.71 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 123.953 0.783 . . . . 0.64000000000000001 111.315 177.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 45' ' ' MET . 21.9 mtt-85 -56.89 -50.4 72.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.603 -0.439 . . . . 0.92000000000000004 110.735 -171.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.34 -53.08 62.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.53 -0.759 . . . . 1.1899999999999999 111.262 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.27 -36.02 72.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 112.773 0.657 . . . . 1.25 112.773 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.898 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 16.4 mt -88.0 -74.45 0.45 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 121.079 -0.248 . . . . 1.0900000000000001 110.671 -174.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.87 35.9 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.867 -0.682 . . . . 0.55000000000000004 112.427 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.434 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -117.11 133.44 56.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 1.0800000000000001 110.324 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -114.24 47.71 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.239 0.542 . . . . 1.9299999999999999 111.378 -173.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.71 123.16 19.34 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.193 -1.04 . . . . 0.93000000000000005 108.193 168.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -45.54 -36.74 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.922 1.453 . . . . 0.71999999999999997 114.922 -169.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.435 ' C ' HD23 ' A' ' 46' ' ' LEU . 10.5 m-20 -64.2 -40.54 96.29 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.625 -0.88 . . . . 2.3100000000000001 108.625 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.98 81.15 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.134 -1.394 . . . . 1.03 111.634 176.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 m -76.3 -35.66 27.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.291 0 C-N-CA 119.745 -0.782 . . . . 1.0700000000000001 110.118 -176.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -72.84 -30.34 63.94 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 110.149 -0.315 . . . . 2.3399999999999999 110.149 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 82.5 t80 -59.03 -55.81 30.37 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.562 -0.903 . . . . 0.20999999999999999 108.562 168.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.572 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.1 tmt_? -49.13 -59.74 3.39 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.314 -0.857 . . . . 1.8899999999999999 111.753 174.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.572 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 13.8 t -45.44 -50.55 12.45 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 123.555 0.534 . . . . 1.77 111.994 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.471 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 9.6 t90 -72.74 -51.98 16.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.53 -0.305 . . . . 0.28000000000000003 111.506 -178.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.595 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 33.8 t-105 -71.6 -29.27 64.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.361 -0.381 . . . . 0.46000000000000002 111.655 -171.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.545 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 14.2 m-80 -85.27 -0.06 53.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.218 0.532 . . . . 0.51000000000000001 111.292 -176.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.4 m -93.04 -15.73 25.81 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.691 0.758 . . . . 1.4299999999999999 109.142 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -115.34 -66.18 1.11 Allowed 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.624 -1.171 . . . . 2.2200000000000002 110.797 -173.082 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 24.0 m -105.82 -55.99 2.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.638 -1.164 . . . . 1.0900000000000001 112.377 -172.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.628 ' C ' ' HG3' ' A' ' 72' ' ' MET . 57.1 mtpt 77.67 11.14 2.14 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 114.747 -1.115 . . . . 1.74 111.468 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.628 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.548 0 O-C-N 124.45 1.094 . . . . 1.71 113.124 176.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.906 0 N-CA-C 111.702 -0.559 . . . . 1.8799999999999999 111.702 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.601 HG22 ' HA ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -70.7 -111.62 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.677 0.621 . . . . 1.21 112.677 179.336 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.638 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 15.2 m-85 -162.32 -161.7 0.76 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.063 -1.088 . . . . 1.02 108.063 -167.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.531 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 13.7 ttp180 -163.34 144.2 9.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.499 0.499 . . . . 2.3700000000000001 110.329 165.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.4 -32.39 2.58 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.087 -0.578 . . . . 1.3899999999999999 113.627 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.638 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -80.21 44.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.483 0.549 . . . . 2.3700000000000001 112.483 -175.606 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.05 28.1 73.49 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.245 -0.979 . . . . 1.05 111.058 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.592 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -46.79 130.47 3.3 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.688 0 N-CA-C 113.674 0.99 . . . . 1.0800000000000001 113.674 -175.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.54 -19.03 13.8 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 113.702 -1.59 . . . . 1.1399999999999999 109.409 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.798 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 63.33 171.02 0.16 Allowed 'General case' 0 CA--C 1.545 0.766 0 O-C-N 123.964 0.79 . . . . 1.8100000000000001 109.492 173.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.56 ' N ' HD11 ' A' ' 19' ' ' LEU . 5.1 t -60.22 162.84 5.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.094 -1.004 . . . . 1.22 110.398 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.28 -50.6 72.99 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.282 0.475 . . . . 2.1499999999999999 112.282 -167.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.78 -64.55 0.86 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.413 -0.358 . . . . 2.0499999999999998 111.766 -174.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.798 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 26.2 mm-40 -46.95 -36.58 7.83 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.475 1.287 . . . . 2.0099999999999998 114.475 -173.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.691 ' CE2' HG23 ' A' ' 40' ' ' VAL . 39.1 t80 -65.16 -54.11 34.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.323 -0.621 . . . . 0.92000000000000004 109.323 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -42.78 70.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.563 -0.744 . . . . 1.8 111.111 170.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.536 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 17.7 mm-40 -70.52 -18.79 62.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.998 -0.547 . . . . 1.27 111.374 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.647 ' CD2' HG21 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -67.03 -36.85 83.02 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.054 0.454 . . . . 0.19 109.83 174.195 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -62.47 -31.23 71.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.456 -0.793 . . . . 3.0699999999999998 109.225 175.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.06 -41.64 58.56 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.643 -0.708 . . . . 0.96999999999999997 110.541 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.406 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 10.7 t-160 -51.54 -43.26 62.28 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.344 -0.389 . . . . 0.19 110.263 173.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.599 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 5.2 t30 -55.51 -48.03 75.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.698 -0.683 . . . . 2.04 110.152 177.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.31 -59.63 3.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.002 -0.999 . . . . 1.0600000000000001 112.004 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 t -61.0 -43.91 98.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.679 0.622 . . . . 0.34000000000000002 112.679 -172.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -84.75 3.9 35.31 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.667 -0.413 . . . . 1.3899999999999999 111.686 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp 60.24 26.62 16.09 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.784 -0.643 . . . . 1.8700000000000001 111.487 170.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.599 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -109.54 -170.82 1.72 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.562 -0.744 . . . . 1.0700000000000001 109.95 178.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.485 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 27.2 t70 -143.15 66.26 1.32 Allowed 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.298 -1.371 . . . . 1.0 107.298 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.55 151.21 20.89 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.414 -1.266 . . . . 1.1599999999999999 110.425 -169.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -85.24 166.84 16.19 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.097 -0.501 . . . . 0.83999999999999997 109.771 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.691 HG23 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.26 -42.86 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 120.796 -0.362 . . . . 1.0800000000000001 110.627 -173.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.631 ' O ' ' HG3' ' A' ' 45' ' ' MET . 37.4 mt-10 -45.89 -53.72 9.37 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 123.951 0.782 . . . . 0.81999999999999995 110.696 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.508 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 10.5 m-20 -54.04 -45.64 71.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.808 -0.633 . . . . 0.66000000000000003 111.562 177.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.453 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 17.3 t80 -58.92 -53.68 55.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.216 0.531 . . . . 0.32000000000000001 109.882 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 2.6 mt -53.9 -35.24 61.4 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 114.605 -1.18 . . . . 1.0600000000000001 109.947 -177.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.631 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 83.3 mtp -64.6 -57.8 8.09 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.592 0.557 . . . . 1.9099999999999999 110.607 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 29.5 mt -47.0 -51.49 17.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.421 -0.808 . . . . 1.0600000000000001 111.435 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -71.49 -44.22 65.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.318 -0.401 . . . . 2.6899999999999999 111.365 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.842 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -44.24 -60.05 2.08 Favored 'General case' 0 C--O 1.215 -0.761 0 O-C-N 123.489 0.493 . . . . 0.64000000000000001 110.596 173.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 45' ' ' MET . 11.6 mtt180 -59.62 -48.36 81.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.935 0.398 . . . . 0.92000000000000004 111.037 -175.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.63 -56.76 17.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 1.1899999999999999 111.148 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.59 -49.26 78.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.768 -0.651 . . . . 1.25 112.724 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.842 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 16.4 mt -77.9 -72.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.638 -0.425 . . . . 1.0900000000000001 110.499 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.44 43.38 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.051 -1.071 . . . . 0.55000000000000004 113.279 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -122.61 140.76 52.46 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.364 -0.606 . . . . 1.0800000000000001 109.364 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.54 45.18 2.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.64 0.607 . . . . 1.9299999999999999 112.64 -170.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -67.9 128.12 35.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.758 -0.46 . . . . 0.93000000000000005 109.758 170.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.572 ' O ' HG21 ' A' ' 60' ' ' VAL . 5.4 p-10 -44.61 -40.11 5.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 115.19 1.552 . . . . 0.71999999999999997 115.19 -170.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -61.45 -42.46 98.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.929 0.871 . . . . 2.3100000000000001 108.759 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.02 -35.34 80.31 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.841 -1.527 . . . . 1.03 111.779 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 57' ' ' ASN . 2.8 m -76.24 -38.81 34.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 119.945 -0.702 . . . . 1.0700000000000001 110.249 -176.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -69.01 -30.26 68.61 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.226 -0.443 . . . . 2.3399999999999999 110.251 176.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.418 ' CG ' ' HB3' ' A' ' 46' ' ' LEU . 73.0 t80 -63.03 -53.94 46.0 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.803 -0.814 . . . . 0.20999999999999999 108.803 171.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.508 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.3 tmt_? -47.54 -61.07 2.1 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.905 -1.043 . . . . 1.8899999999999999 111.096 176.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.508 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 55.7 m -47.8 -52.27 19.45 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.675 0.62 . . . . 1.77 112.675 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.556 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 10.8 t90 -65.13 -51.91 58.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.753 0.311 . . . . 0.28000000000000003 111.362 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.536 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 7.4 t-105 -72.23 -23.51 61.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.46000000000000002 111.566 -172.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 19.5 m-80 -94.15 -1.28 54.47 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 112.14 0.422 . . . . 0.51000000000000001 112.14 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.4 m -93.92 -17.11 23.34 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.971 0.891 . . . . 1.4299999999999999 108.725 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 9.4 ptm180 -114.09 -58.14 2.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.4 -1.273 . . . . 2.2200000000000002 111.528 -172.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 m -106.07 -60.73 1.6 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.808 -1.087 . . . . 1.0900000000000001 111.844 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.483 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.1 mtpt 76.25 24.67 1.09 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 114.426 -1.261 . . . . 1.74 109.453 -173.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.688 ' HB3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER 48.94 -166.19 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 123.935 1.826 . . . . 1.71 115.465 170.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ASP . . . -141.81 70.49 1.34 Allowed 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 110.639 -2.982 . . . . 1.26 106.142 173.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.529 ' HA ' HH22 ' A' ' 47' ' ' ARG . 2.2 m-20 -41.34 80.21 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 O-C-N 125.532 1.77 . . . . 2.3700000000000001 113.246 -168.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ALA . 2.4 m-20 57.23 26.32 12.12 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.014 -0.994 . . . . 2.3799999999999999 111.912 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 74' ' ' ASN . 59.2 m-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.712 -0.661 . . . . 2.1699999999999999 110.107 174.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.926 -0.469 . . . . 1.8799999999999999 111.926 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.5 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -141.76 -143.09 0.15 Allowed 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.527 -0.916 . . . . 1.21 108.527 173.006 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.613 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 -145.33 -168.27 2.91 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.779 -0.452 . . . . 1.02 109.779 -175.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -159.46 140.8 12.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.926 -0.579 . . . . 2.3700000000000001 109.693 167.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.87 -34.01 2.81 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.943 -0.646 . . . . 1.3899999999999999 113.797 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.613 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -78.33 47.68 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.772 0.656 . . . . 2.3700000000000001 112.772 -175.403 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.89 26.66 73.84 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.217 -0.992 . . . . 1.05 111.248 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.573 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -49.3 131.5 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.65 0 N-CA-C 113.66 0.985 . . . . 1.0800000000000001 113.66 -176.85 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.13 -8.67 14.4 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 113.506 -1.679 . . . . 1.1399999999999999 108.79 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.6 HD23 ' CD2' ' A' ' 44' ' ' LEU . 49.0 tp 58.74 -179.44 0.07 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.701 -1.136 . . . . 1.8100000000000001 111.016 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.582 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 1.1 t -65.64 167.6 8.83 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.327 -0.62 . . . . 1.22 109.327 172.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.79 -58.92 5.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.099 0.778 . . . . 2.1499999999999999 113.099 -164.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.86 -48.85 19.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.776 0.322 . . . . 2.0499999999999998 111.208 -171.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.48 ' HB2' HG23 ' A' ' 20' ' ' THR . 7.3 mp0 -46.73 -42.36 16.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.094 -0.957 . . . . 2.0099999999999998 112.826 -177.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.738 ' CE2' HG23 ' A' ' 40' ' ' VAL . 36.1 t80 -66.32 -57.93 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.92000000000000004 110.36 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -52.51 -40.04 61.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.575 0.702 . . . . 1.8 111.082 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -77.6 -17.01 58.23 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 122.059 -0.4 . . . . 1.27 110.97 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CD2' HG21 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -62.4 -33.58 75.05 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.297 -0.631 . . . . 0.19 109.297 168.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 56.7 mtm180 -63.08 -30.83 71.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.498 -0.773 . . . . 3.0699999999999998 109.027 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' OE2' ' HB2' ' A' ' 32' ' ' ALA . 16.5 tp10 -76.67 -35.21 58.1 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.96999999999999997 111.552 169.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -54.28 -40.93 68.3 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.888 -0.782 . . . . 0.19 108.888 173.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.581 ' ND2' ' HA ' ' A' ' 37' ' ' ASP . 25.0 t-20 -53.22 -49.51 66.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.304 -0.862 . . . . 2.04 110.236 172.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' HB2' ' OE2' ' A' ' 29' ' ' GLU . . . -68.23 -60.1 2.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.92 -1.036 . . . . 1.0600000000000001 112.36 -177.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.1 t -59.89 -36.68 77.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.653 -0.703 . . . . 0.34000000000000002 112.816 -172.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' HD3' ' CD2' ' A' ' 65' ' ' TRP . 21.7 mmm180 -97.94 4.65 49.46 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.263 -0.575 . . . . 1.3899999999999999 111.991 -175.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 59.82 24.16 13.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.148 0.499 . . . . 1.8700000000000001 111.873 173.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.564 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -104.7 -173.4 2.3 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.754 -0.657 . . . . 1.0700000000000001 109.235 176.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.581 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 31.4 t70 -139.18 32.29 2.14 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 122.248 1.023 . . . . 1.0 108.389 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.45 148.38 33.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.723 -1.58 . . . . 1.1599999999999999 111.432 -175.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -86.79 172.31 10.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.873 -0.603 . . . . 0.83999999999999997 109.528 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.738 HG23 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -67.36 -42.55 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 120.311 -0.556 . . . . 1.0800000000000001 111.473 -171.479 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 45' ' ' MET . 31.4 mt-10 -48.94 -51.57 29.49 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.448 0.468 . . . . 0.81999999999999995 110.171 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.7 m-20 -53.89 -42.66 68.91 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.787 -0.642 . . . . 0.66000000000000003 112.065 176.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.522 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 46.8 t80 -61.31 -52.14 65.94 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.304 0.573 . . . . 0.32000000000000001 109.584 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.6 ' CD2' HD23 ' A' ' 19' ' ' LEU . 2.2 mt -55.75 -34.36 65.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.239 -1.346 . . . . 1.0600000000000001 109.491 -175.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.6 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 79.1 mtp -62.93 -60.13 3.88 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.374 0.421 . . . . 1.9099999999999999 111.284 173.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 20.5 mt -49.38 -52.03 31.04 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.644 -0.707 . . . . 1.0600000000000001 111.77 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.437 ' C ' ' HE ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -66.93 -41.57 86.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.068 -0.515 . . . . 2.6899999999999999 109.828 -178.588 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.893 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -48.76 -65.16 0.61 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.83 -0.623 . . . . 0.64000000000000001 110.591 173.357 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.464 ' HB3' ' HB2' ' A' ' 54' ' ' ALA . 6.4 mtt180 -57.4 -52.35 65.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.349 0.595 . . . . 0.92000000000000004 109.977 -172.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.58 18.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.473 -1.239 . . . . 1.1899999999999999 111.46 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' HB1' HH21 ' A' ' 47' ' ' ARG . . . -65.94 -36.75 84.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.021 0.748 . . . . 1.25 113.021 -178.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.893 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 19.7 mt -80.59 -71.79 0.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.554 -0.458 . . . . 1.0900000000000001 110.904 -174.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.06 43.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.612 -0.804 . . . . 0.55000000000000004 112.509 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -128.89 140.65 51.59 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.471 -0.566 . . . . 1.0800000000000001 109.471 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -121.85 44.23 2.63 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.085 0.402 . . . . 1.9299999999999999 112.085 -171.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 60' ' ' VAL . 8.2 t70 -69.79 134.89 49.05 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.154 -0.684 . . . . 0.93000000000000005 109.154 171.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.542 ' O ' HG21 ' A' ' 60' ' ' VAL . 2.9 p-10 -44.9 -43.95 9.29 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 115.709 1.744 . . . . 0.71999999999999997 115.709 -169.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.429 ' C ' HD21 ' A' ' 46' ' ' LEU . 19.2 p30 -62.07 -39.27 91.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.93 0.871 . . . . 2.3100000000000001 109.321 -177.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.404 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -69.23 -30.47 68.63 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 113.83 -1.532 . . . . 1.03 112.357 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.542 HG21 ' O ' ' A' ' 57' ' ' ASN . 2.6 m -79.46 -35.79 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 119.574 -0.851 . . . . 1.0700000000000001 109.987 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.407 ' HA ' ' HG ' ' A' ' 64' ' ' SER . 15.2 mtpp -70.51 -24.46 62.83 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 121.445 0.64 . . . . 2.3399999999999999 109.778 174.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -67.99 -59.2 3.45 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.424 -0.954 . . . . 0.20999999999999999 108.424 169.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -60.75 2.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.022 -0.99 . . . . 1.8899999999999999 112.394 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.407 ' HG ' ' HA ' ' A' ' 61' ' ' LYS . 11.6 p -44.32 -54.75 5.5 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.47 0.915 . . . . 1.77 113.47 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.562 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 2.7 t90 -74.17 -48.08 31.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.765 0.316 . . . . 0.28000000000000003 111.642 -178.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.662 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 69.1 t-105 -65.86 -36.19 82.75 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 122.899 0.48 . . . . 0.46000000000000002 111.463 -171.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -84.48 1.24 46.5 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.424 0.631 . . . . 0.51000000000000001 110.888 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.1 t -95.23 -20.34 19.29 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.909 0.861 . . . . 1.4299999999999999 108.885 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 2.0 ptm180 -116.46 -62.41 1.59 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.247 -1.342 . . . . 2.2200000000000002 111.402 -172.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.535 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 6.2 m -96.61 -64.8 1.01 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.061 -0.972 . . . . 1.0900000000000001 111.654 -172.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.596 ' C ' ' HG3' ' A' ' 72' ' ' MET . 48.5 mtpt 77.63 1.89 2.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 114.637 -1.165 . . . . 1.74 111.963 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.662 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 47.52 -166.04 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.14 1.533 . . . . 1.71 115.14 166.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' H ' ' HB2' ' A' ' 72' ' ' MET . . . -140.0 34.59 1.94 Allowed 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 114.22 -1.354 . . . . 1.26 109.781 178.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 51' ' ' ALA . 38.7 t-20 43.84 -87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 125.057 1.473 . . . . 2.3700000000000001 111.18 -177.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -150.44 34.61 0.63 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.204 0.526 . . . . 2.3799999999999999 109.593 170.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.386 -0.816 . . . . 2.1699999999999999 110.39 -179.102 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.288 -0.325 . . . . 1.8799999999999999 112.288 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.555 HG22 ' HA ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -150.61 -143.36 0.13 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.932 -0.766 . . . . 1.21 108.932 177.291 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.516 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 1.5 m-85 -142.08 -167.7 2.53 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.07 -0.344 . . . . 1.02 110.07 -172.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -161.97 146.6 12.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 2.3700000000000001 109.089 167.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.62 52.02 53.71 Favored Glycine 0 CA--C 1.517 0.202 0 C-N-CA 120.822 -0.704 . . . . 1.3899999999999999 113.028 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.516 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -162.44 37.91 0.11 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.209 0.528 . . . . 2.3700000000000001 111.127 179.458 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.06 28.8 67.78 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.656 -0.978 . . . . 1.05 110.656 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.485 HG23 HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -53.68 128.76 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 N-CA-C 113.536 0.939 . . . . 1.0800000000000001 113.536 -176.265 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.04 -8.78 15.77 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 113.762 -1.563 . . . . 1.1399999999999999 108.821 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.725 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.2 tm? 59.47 177.24 0.08 Allowed 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.946 -1.025 . . . . 1.8100000000000001 109.073 176.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.675 ' N ' HD13 ' A' ' 19' ' ' LEU . 14.0 t -66.1 172.37 3.84 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.61 -1.306 . . . . 1.22 110.198 172.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -59.9 -58.17 9.69 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 112.788 0.662 . . . . 2.1499999999999999 112.788 -170.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.92 -62.71 1.35 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.972 0.36 . . . . 2.0499999999999998 111.972 -172.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.725 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 58.7 mt-10 -56.58 -29.6 62.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.697 1.369 . . . . 2.0099999999999998 114.697 -167.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.824 ' CE2' HG21 ' A' ' 40' ' ' VAL . 35.9 t80 -65.79 -58.13 6.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 118.664 0.665 . . . . 0.92000000000000004 109.781 177.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -52.76 -43.49 65.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.635 0.731 . . . . 1.8 111.024 171.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.608 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 32.7 mm-40 -69.07 -22.06 64.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.5 -0.773 . . . . 1.27 111.931 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.57 ' CD2' HG22 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.18 -36.49 84.23 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.233 0.54 . . . . 0.19 109.561 174.585 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 -63.32 -31.23 72.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.131 -0.94 . . . . 3.0699999999999998 109.456 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -75.76 -39.91 56.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.177 -0.465 . . . . 0.96999999999999997 110.75 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -50.49 -37.95 41.45 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 110.193 -0.299 . . . . 0.19 110.193 172.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.555 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 26.1 t-20 -56.4 -51.79 67.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.017 -0.538 . . . . 2.04 109.974 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.73 -61.4 2.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.281 -0.872 . . . . 1.0600000000000001 112.246 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.1 t -58.91 -40.93 85.97 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.99 0.737 . . . . 0.34000000000000002 112.99 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -91.28 -0.65 57.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.576 0.584 . . . . 1.3899999999999999 112.576 -175.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.05 56.99 4.87 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.141 -0.936 . . . . 1.8700000000000001 110.883 174.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.555 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -139.25 -174.24 3.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.523 -0.917 . . . . 1.0700000000000001 108.523 -176.435 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -137.1 37.82 2.55 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.064 -1.087 . . . . 1.0 108.064 -176.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.26 149.25 48.73 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.158 -1.383 . . . . 1.1599999999999999 110.963 -175.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m -86.97 175.42 8.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.066 -0.516 . . . . 0.83999999999999997 109.693 175.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.824 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -67.5 -46.47 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 120.219 -0.592 . . . . 1.0800000000000001 110.148 -176.177 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.62 ' O ' ' HG3' ' A' ' 45' ' ' MET . 30.2 mt-10 -50.46 -43.81 55.44 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 123.615 0.572 . . . . 0.81999999999999995 110.061 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.505 ' HA ' ' HE2' ' A' ' 45' ' ' MET . 20.9 m-20 -59.17 -42.41 90.71 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.356 -0.384 . . . . 0.66000000000000003 111.598 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.501 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 9.0 t80 -60.12 -51.89 67.7 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.597 0.713 . . . . 0.32000000000000001 109.079 175.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 2.6 mt -59.53 -25.82 64.83 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.152 -1.385 . . . . 1.0600000000000001 110.085 -174.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.62 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 25.5 mtm -66.45 -60.02 3.13 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.306 0.575 . . . . 1.9099999999999999 110.602 172.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 19.5 mt -52.64 -52.94 53.31 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 114.84 -1.073 . . . . 1.0600000000000001 110.705 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.497 ' HG3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -61.24 -50.69 72.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.097 -0.956 . . . . 2.6899999999999999 111.047 178.439 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.867 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.32 -61.12 0.82 Allowed 'General case' 0 C--O 1.217 -0.658 0 O-C-N 123.526 0.516 . . . . 0.64000000000000001 110.939 172.612 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' A' ' 45' ' ' MET . 32.4 mtt-85 -63.37 -32.14 73.49 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.872 0.368 . . . . 0.92000000000000004 110.598 -170.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.62 -58.49 4.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.154 -0.475 . . . . 1.1899999999999999 110.91 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.94 -47.43 74.47 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.403 0.52 . . . . 1.25 112.403 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.867 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 12.4 mt -75.56 -69.25 0.5 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 1.0900000000000001 110.371 -174.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.23 42.08 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.119 -1.038 . . . . 0.55000000000000004 113.63 172.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -113.07 140.97 47.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.219 0.509 . . . . 1.0800000000000001 110.563 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.48 43.84 1.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 1.9299999999999999 111.676 -174.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 2.8 t70 -67.11 120.03 13.02 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.723 -0.843 . . . . 0.93000000000000005 108.723 169.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.549 ' O ' HG23 ' A' ' 60' ' ' VAL . 3.4 p-10 -39.99 -42.13 1.32 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 115.323 1.601 . . . . 0.71999999999999997 115.323 -172.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' C ' HD21 ' A' ' 46' ' ' LEU . 28.4 m-20 -60.09 -41.34 92.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.948 0.88 . . . . 2.3100000000000001 109.112 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.416 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -70.73 -34.01 71.44 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.017 -1.447 . . . . 1.03 111.832 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 57' ' ' ASN . 3.1 m -74.93 -37.81 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 119.92 -0.712 . . . . 1.0700000000000001 110.136 -175.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -68.5 -35.23 77.22 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.291 -0.413 . . . . 2.3399999999999999 110.064 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.446 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 73.3 t80 -58.86 -57.37 13.34 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 109.088 -0.708 . . . . 0.20999999999999999 109.088 172.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -46.1 -59.63 2.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.428 -0.805 . . . . 1.8899999999999999 110.77 174.358 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.6 t -41.5 -57.98 2.05 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.994 0.809 . . . . 1.77 112.114 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.496 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 11.6 t90 -68.81 -49.72 56.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.899 0.381 . . . . 0.28000000000000003 111.921 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.608 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 21.9 t-105 -72.9 -24.92 60.9 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.256 -0.429 . . . . 0.46000000000000002 111.649 -169.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 23.2 m-80 -94.6 4.25 54.07 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.366 0.603 . . . . 0.51000000000000001 110.862 -177.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -92.39 -21.27 20.31 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.507 0.67 . . . . 1.4299999999999999 109.277 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.05 -65.09 1.22 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.901 -1.045 . . . . 2.2200000000000002 110.766 -173.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 72' ' ' MET . 25.9 m -92.03 -58.74 2.3 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.562 -1.199 . . . . 1.0900000000000001 111.808 -175.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.585 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.0 mtpt 73.16 22.8 2.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 124.609 1.193 . . . . 1.74 109.984 -172.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.585 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 43.67 -165.37 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 113.629 -1.623 . . . . 1.71 115.155 170.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -166.12 80.55 0.27 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.432 -1.258 . . . . 1.26 108.76 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -19.1 -69.16 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 O-C-N 125.315 1.634 . . . . 2.3700000000000001 112.632 -171.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -149.87 39.59 0.78 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.71 0.767 . . . . 2.3799999999999999 109.201 169.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--O 1.248 0.999 0 CA-C-N 114.959 -1.019 . . . . 2.1699999999999999 110.57 -176.786 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 111.847 -0.501 . . . . 1.8799999999999999 111.847 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -130.62 -148.66 0.37 Allowed 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.66 -0.496 . . . . 1.21 109.66 178.051 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.555 ' CB ' ' HD3' ' A' ' 15' ' ' ARG . 1.0 OUTLIER -144.87 -156.66 0.72 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.591 0.71 . . . . 1.02 111.06 -168.086 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.465 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 9.5 ttp180 -165.23 145.91 7.22 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 113.883 -1.508 . . . . 2.3700000000000001 108.05 172.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.42 58.25 2.95 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 119.62 -1.276 . . . . 1.3899999999999999 113.821 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.555 ' HD3' ' CB ' ' A' ' 12' ' ' TYR . 11.7 ptm180 -179.31 33.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.957 0.378 . . . . 2.3700000000000001 111.133 -177.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.03 31.07 71.55 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.062 -1.215 . . . . 1.05 110.062 -172.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.484 HG22 HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -41.4 128.18 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.762 0 CA-C-N 114.399 -0.901 . . . . 1.0800000000000001 112.964 -176.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.96 -14.37 29.61 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.338 -1.301 . . . . 1.1399999999999999 109.509 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.793 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 2.5 tm? 60.86 -172.35 0.14 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 107.824 -1.176 . . . . 1.8100000000000001 107.824 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.594 ' N ' HD11 ' A' ' 19' ' ' LEU . 2.5 t -70.71 162.81 28.37 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 120.833 -1.167 . . . . 1.22 108.925 166.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -58.08 -57.9 10.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.161 0.801 . . . . 2.1499999999999999 113.161 -168.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.92 -58.05 4.31 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.851 0.315 . . . . 2.0499999999999998 111.851 -170.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.793 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 11.3 mm-40 -46.6 -38.4 9.52 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.017 1.117 . . . . 2.0099999999999998 114.017 -175.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.634 ' CE2' HG21 ' A' ' 40' ' ' VAL . 39.1 t80 -61.04 -59.34 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.18 0.514 . . . . 0.92000000000000004 110.477 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -51.62 -40.72 60.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 1.8 110.599 171.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.602 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 13.0 mm-40 -67.89 -21.63 65.14 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.504 -0.771 . . . . 1.27 112.078 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CD2' HG22 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -64.4 -37.65 88.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.653 -0.499 . . . . 0.19 109.653 174.052 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -60.76 -35.22 75.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.467 -0.788 . . . . 3.0699999999999998 109.441 176.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.33 -36.92 63.69 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.068 -0.515 . . . . 0.96999999999999997 110.683 173.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.437 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.0 t-160 -52.68 -40.24 62.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.475 -0.33 . . . . 0.19 110.473 173.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.44 ' HA ' HD11 ' A' ' 36' ' ' LEU . 8.4 m120 -53.5 -50.84 64.53 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.573 0.546 . . . . 2.04 109.844 173.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.04 -60.65 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.137 -0.938 . . . . 1.0600000000000001 112.392 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.406 ' HB3' ' CZ2' ' A' ' 65' ' ' TRP . 30.4 t -59.94 -38.82 83.52 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.794 0.664 . . . . 0.34000000000000002 112.794 -170.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.458 HH11 ' HB2' ' A' ' 65' ' ' TRP . 8.1 mmm180 -91.64 4.14 53.39 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.324 -0.55 . . . . 1.3899999999999999 111.539 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 54.69 42.11 31.45 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.169 -0.923 . . . . 1.8700000000000001 111.769 174.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.46 HD13 HD21 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -129.62 -175.78 3.7 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.168 -0.679 . . . . 1.0700000000000001 109.168 -177.049 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -141.45 105.47 4.77 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.46 HD21 HD13 ' A' ' 36' ' ' LEU . 2.3 pt? -136.21 155.67 49.79 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.815 -0.629 . . . . 1.1599999999999999 109.98 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.8 m -89.75 167.51 12.82 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.003 -0.999 . . . . 0.83999999999999997 109.302 175.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.634 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -61.03 -44.07 97.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.705 -0.398 . . . . 1.0800000000000001 110.852 -169.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 45' ' ' MET . 35.0 mt-10 -44.49 -53.6 6.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.838 0.711 . . . . 0.81999999999999995 111.015 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.516 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.3 m-20 -58.42 -42.15 86.58 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.412 -0.358 . . . . 0.66000000000000003 111.889 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.554 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 18.6 t80 -59.02 -53.87 53.52 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.19 -0.67 . . . . 0.32000000000000001 109.19 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 1.9 mt -53.9 -33.56 56.94 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 114.175 -1.375 . . . . 1.0600000000000001 110.004 -178.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.578 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 91.8 mtp -66.3 -56.26 12.03 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.336 0.397 . . . . 1.9099999999999999 110.775 174.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 31.5 mt -46.78 -51.12 17.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.754 -0.657 . . . . 1.0600000000000001 111.633 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.584 ' NH2' ' HG3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -69.29 -46.3 67.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.23 -0.441 . . . . 2.6899999999999999 110.666 178.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.884 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -45.09 -62.84 1.09 Allowed 'General case' 0 C--O 1.214 -0.794 0 O-C-N 123.963 0.79 . . . . 0.64000000000000001 111.07 177.031 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 45' ' ' MET . 13.3 mtt180 -53.03 -52.71 57.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.86 0.362 . . . . 0.92000000000000004 110.716 -174.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.07 -55.95 17.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.232 -0.895 . . . . 1.1899999999999999 111.61 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.538 ' HB1' HD21 ' A' ' 74' ' ' ASN . . . -56.74 -39.96 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.592 0.757 . . . . 1.25 112.577 178.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.884 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -89.22 -73.16 0.52 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.389 -0.369 . . . . 1.0900000000000001 110.762 -171.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.07 36.88 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.992 -1.099 . . . . 0.55000000000000004 113.416 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -121.42 138.1 54.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.28 0.54 . . . . 1.0800000000000001 110.333 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.4 49.12 1.31 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.274 -0.421 . . . . 1.9299999999999999 111.498 -173.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.99 130.33 41.87 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.193 -0.669 . . . . 0.93000000000000005 109.193 171.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.572 ' O ' HG23 ' A' ' 60' ' ' VAL . 4.5 p-10 -46.06 -37.8 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 115.255 1.576 . . . . 0.71999999999999997 115.255 -169.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -43.1 99.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 119.011 0.823 . . . . 2.3100000000000001 109.223 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.93 -35.83 81.7 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 113.954 -1.475 . . . . 1.03 111.556 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 57' ' ' ASN . 2.8 m -75.9 -38.2 35.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.951 -0.699 . . . . 1.0700000000000001 110.537 -176.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -70.37 -24.02 62.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.225 0.536 . . . . 2.3399999999999999 110.25 176.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.409 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 82.5 t80 -67.75 -54.19 21.26 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.888 -0.782 . . . . 0.20999999999999999 108.888 169.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.426 ' HD3' ' N ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -51.85 -60.79 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.216 -0.902 . . . . 1.8899999999999999 111.307 177.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.426 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 49.8 m -48.17 -37.31 15.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.221 0.823 . . . . 1.77 113.221 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.458 ' HB2' HH11 ' A' ' 34' ' ' ARG . 8.9 t90 -82.19 -53.16 6.29 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.137 -0.352 . . . . 0.28000000000000003 111.109 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.664 ' CD1' ' HB3' ' A' ' 72' ' ' MET . 11.7 t-105 -68.06 -25.98 65.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.02 -0.536 . . . . 0.46000000000000002 111.378 -170.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.554 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 25.5 m-80 -94.42 1.43 55.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.51000000000000001 111.747 -176.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 66.0 m -93.82 -18.12 22.36 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.696 0.76 . . . . 1.4299999999999999 109.379 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.02 -69.77 0.84 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.672 -1.149 . . . . 2.2200000000000002 110.377 -174.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 72' ' ' MET . 27.2 m -85.2 -56.96 3.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.3 -1.318 . . . . 1.0900000000000001 111.844 -176.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.596 ' C ' ' HG3' ' A' ' 72' ' ' MET . 31.3 mtpt 74.7 21.49 2.16 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 114.53 -1.214 . . . . 1.74 109.454 -171.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.664 ' HB3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 44.68 -163.6 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 113.01 -1.905 . . . . 1.71 115.478 168.435 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.53 84.8 0.91 Allowed 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 113.625 -1.625 . . . . 1.26 107.046 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.538 HD21 ' HB1' ' A' ' 51' ' ' ALA . 15.3 m120 -25.81 -55.82 0.06 Allowed 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.939 1.399 . . . . 2.3700000000000001 113.057 -174.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -159.14 30.62 0.21 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.185 0.517 . . . . 2.3799999999999999 110.528 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.555 -0.736 . . . . 2.1699999999999999 110.794 -176.78 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.597 -0.601 . . . . 1.8799999999999999 111.597 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.619 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -111.88 -155.5 0.57 Allowed 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 121.571 0.7 . . . . 1.21 110.593 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.685 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 4.5 m-85 -132.99 -155.34 0.67 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.662 -1.154 . . . . 1.02 108.958 -174.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -169.48 115.84 0.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.412 0.445 . . . . 2.3700000000000001 109.981 172.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.447 ' HA2' ' OE1' ' A' ' 41' ' ' GLU . . . 112.01 -45.14 1.36 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.383 -0.913 . . . . 1.3899999999999999 113.009 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.685 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -78.64 54.55 1.51 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.807 0.669 . . . . 2.3700000000000001 112.807 -172.416 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.28 30.52 76.87 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.009 -1.091 . . . . 1.05 111.375 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -54.72 132.11 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.655 0 CA-C-O 122.253 1.025 . . . . 1.0800000000000001 113.587 -176.197 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.47 -13.92 15.88 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 113.452 -1.704 . . . . 1.1399999999999999 109.253 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.743 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.3 tm? 62.77 178.27 0.14 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.109 0.881 . . . . 1.8100000000000001 108.913 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.627 ' O ' HD13 ' A' ' 19' ' ' LEU . 4.3 t -68.67 177.65 2.41 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.821 -1.175 . . . . 1.22 109.351 170.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.96 -53.56 30.54 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 121.852 -0.53 . . . . 2.1499999999999999 112.214 -172.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.74 -62.83 1.24 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.46 0.541 . . . . 2.0499999999999998 112.46 -171.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.743 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 22.0 mm-40 -48.21 -32.93 7.78 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.754 1.02 . . . . 2.0099999999999998 113.754 -173.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.675 ' N ' HD11 ' A' ' 19' ' ' LEU . 30.7 t80 -67.1 -56.01 11.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.01 0.433 . . . . 0.92000000000000004 109.854 -179.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -52.06 -44.57 64.34 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.69 0.757 . . . . 1.8 110.766 170.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.64 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.6 mm-40 -70.67 -18.95 62.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.588 -0.733 . . . . 1.27 111.786 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.664 ' CD2' HG21 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -65.87 -38.26 88.34 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 120.998 0.427 . . . . 0.19 110.012 173.52 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -60.72 -32.81 72.05 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.312 -0.858 . . . . 3.0699999999999998 109.107 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -77.87 -39.24 43.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.764 -0.653 . . . . 0.96999999999999997 111.082 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.426 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 10.1 t-160 -50.39 -41.43 52.02 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.631 0.253 . . . . 0.19 110.438 172.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.494 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 9.7 t30 -57.27 -48.08 79.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.776 -0.647 . . . . 2.04 110.11 176.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.48 -61.22 1.92 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.894 -1.048 . . . . 1.0600000000000001 112.368 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.2 t -56.57 -44.98 81.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.621 0.6 . . . . 0.34000000000000002 112.621 -173.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -84.53 -2.07 56.78 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.845 -0.342 . . . . 1.3899999999999999 111.3 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 58.92 31.44 21.32 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.634 -0.712 . . . . 1.8700000000000001 111.63 173.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.519 HD13 HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -109.32 -169.22 1.44 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.833 -0.621 . . . . 1.0700000000000001 110.342 -179.136 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -141.26 103.17 4.38 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.821 -0.807 . . . . 1.0 108.821 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.519 HD21 HD13 ' A' ' 36' ' ' LEU . 1.5 pt? -137.22 161.5 36.02 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.584 0.707 . . . . 1.1599999999999999 110.895 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -102.47 154.12 19.4 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.769 -1.197 . . . . 0.83999999999999997 107.769 171.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.664 HG21 ' CD2' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -45.28 -39.62 2.37 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 113.051 0.76 . . . . 1.0800000000000001 113.051 -171.704 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.651 ' O ' ' HG3' ' A' ' 45' ' ' MET . 22.2 mt-10 -48.92 -55.28 12.26 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.342 0.401 . . . . 0.81999999999999995 111.102 -179.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.575 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 9.9 m-20 -57.98 -34.3 69.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.617 -0.265 . . . . 0.66000000000000003 111.38 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.501 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 6.7 t80 -63.5 -53.26 54.72 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.157 -0.683 . . . . 0.32000000000000001 109.157 173.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 3.5 mt -57.01 -30.12 63.92 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 114.454 -1.248 . . . . 1.0600000000000001 110.024 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.651 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 72.4 mtp -65.74 -58.23 6.16 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.973 0.795 . . . . 1.9099999999999999 110.509 174.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 24.2 mt -50.56 -54.5 22.04 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.82 -0.627 . . . . 1.0600000000000001 111.056 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -58.83 -51.34 70.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.485 -0.78 . . . . 2.6899999999999999 110.801 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.858 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -41.36 -62.72 0.81 Allowed 'General case' 0 C--O 1.213 -0.82 0 O-C-N 123.783 0.677 . . . . 0.64000000000000001 111.324 174.142 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 45' ' ' MET . 16.8 mtt180 -57.26 -42.32 81.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.723 0.297 . . . . 0.92000000000000004 110.954 -170.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.55 -55.67 28.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.861 -0.609 . . . . 1.1899999999999999 110.868 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.43 -40.9 79.39 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.612 0.597 . . . . 1.25 112.612 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.858 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.0 mt -82.99 -77.04 0.25 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.431 -0.35 . . . . 1.0900000000000001 110.603 -174.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.06 16.23 0.02 OUTLIER Glycine 0 CA--C 1.522 0.503 0 C-N-CA 119.838 -1.172 . . . . 0.55000000000000004 114.023 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -95.27 134.48 37.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.678 0.739 . . . . 1.0800000000000001 111.123 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -109.41 47.83 0.91 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.682 -0.69 . . . . 1.9299999999999999 111.36 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 14.4 t70 -69.88 122.38 19.15 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.005 -0.739 . . . . 0.93000000000000005 109.005 169.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.477 ' O ' HG22 ' A' ' 60' ' ' VAL . 4.4 p-10 -38.55 -42.48 0.77 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 115.752 1.76 . . . . 0.71999999999999997 115.752 -173.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.403 ' C ' HD22 ' A' ' 46' ' ' LEU . 26.9 m-20 -61.94 -38.54 88.87 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.38 0.991 . . . . 2.3100000000000001 109.196 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.3 -33.49 67.43 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.506 -1.225 . . . . 1.03 111.425 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.2 m -76.84 -36.68 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 119.922 -0.711 . . . . 1.0700000000000001 110.093 -176.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -71.43 -30.54 66.18 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.245 -0.434 . . . . 2.3399999999999999 109.846 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -60.41 -57.61 12.05 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.781 -0.822 . . . . 0.20999999999999999 108.781 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.6 tmt_? -48.22 -60.76 2.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.383 -0.826 . . . . 1.8899999999999999 110.948 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.415 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 49.9 m -42.49 -56.59 2.99 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.844 0.715 . . . . 1.77 112.555 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.477 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 7.7 t90 -66.88 -49.46 65.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.699 0.285 . . . . 0.28000000000000003 111.513 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.64 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 8.5 t-105 -70.98 -24.28 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.356 -0.384 . . . . 0.46000000000000002 111.511 -170.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.413 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 18.7 m-80 -95.27 2.66 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.369 0.604 . . . . 0.51000000000000001 110.768 -175.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.0 m -92.24 -21.33 20.39 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 121.737 0.779 . . . . 1.4299999999999999 109.39 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.24 -68.45 0.93 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.663 -1.153 . . . . 2.2200000000000002 110.82 -174.35 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 26.2 m -91.6 -58.21 2.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.547 -1.206 . . . . 1.0900000000000001 111.944 -174.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.621 ' C ' ' HG3' ' A' ' 72' ' ' MET . 51.2 mtpt 75.25 22.53 1.7 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.652 -1.158 . . . . 1.74 110.002 -173.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.621 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 1.2 ppp? 43.87 -165.9 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 113.662 -1.608 . . . . 1.71 114.79 171.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.422 ' H ' ' HB2' ' A' ' 72' ' ' MET . . . -145.55 50.06 1.22 Allowed 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 113.516 -1.675 . . . . 1.26 108.639 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.405 ' HA ' ' HE1' ' A' ' 72' ' ' MET . 7.6 m120 18.38 -95.71 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.36 0 O-C-N 125.656 1.847 . . . . 2.3700000000000001 112.788 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -133.04 35.85 3.5 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.764 -0.828 . . . . 2.3799999999999999 108.764 173.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.423 -0.798 . . . . 2.1699999999999999 110.144 178.65 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.081 -0.408 . . . . 1.8799999999999999 112.081 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.588 HG22 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -141.56 -143.7 0.15 Allowed 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.07 0.462 . . . . 1.21 109.834 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.566 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 -140.65 -167.28 2.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.643 -0.708 . . . . 1.02 109.207 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -176.51 141.55 0.4 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.241 -1.022 . . . . 2.3700000000000001 108.241 169.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.43 41.42 4.82 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 119.774 -1.203 . . . . 1.3899999999999999 110.891 -172.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.566 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 6.2 ptp180 -173.34 -166.83 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.162 -0.519 . . . . 2.3700000000000001 109.916 -172.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.64 49.29 2.37 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.756 -0.657 . . . . 1.05 112.141 173.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.468 HG11 ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -61.88 133.02 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-O 121.772 0.796 . . . . 1.0800000000000001 112.058 -179.375 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.26 -9.39 14.3 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.158 -1.383 . . . . 1.1399999999999999 108.947 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 20' ' ' THR . 3.1 tm? 59.51 179.8 0.08 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.092 -0.958 . . . . 1.8100000000000001 108.743 176.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.748 ' N ' HD13 ' A' ' 19' ' ' LEU . 12.2 t -67.67 -177.16 0.72 Allowed 'General case' 0 C--N 1.321 -0.667 0 O-C-N 120.604 -1.31 . . . . 1.22 109.627 170.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -72.1 -57.31 4.37 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 112.762 0.652 . . . . 2.1499999999999999 112.762 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.16 -61.19 2.05 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.08 0.4 . . . . 2.0499999999999998 112.08 -173.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.604 ' CD ' ' HE ' ' A' ' 47' ' ' ARG . 5.8 mt-10 -46.91 -35.95 7.04 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.19 1.181 . . . . 2.0099999999999998 114.19 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.724 ' CD2' HG23 ' A' ' 40' ' ' VAL . 34.4 t80 -68.64 -54.88 13.69 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.255 0.48 . . . . 0.92000000000000004 110.076 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.24 -43.97 61.6 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.554 0.692 . . . . 1.8 110.893 171.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.557 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 39.0 mt-10 -77.01 -16.54 59.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.889 -0.596 . . . . 1.27 112.318 -177.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.666 ' CD2' HG21 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -62.44 -36.11 81.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.375 -0.602 . . . . 0.19 109.375 168.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -62.73 -34.63 77.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.191 -0.913 . . . . 3.0699999999999998 109.116 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.41 -43.42 70.04 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.953 -0.567 . . . . 0.96999999999999997 110.719 171.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 12.6 t-160 -49.07 -43.8 41.36 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.308 -0.405 . . . . 0.19 111.205 175.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.475 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 11.2 t30 -60.22 -43.73 95.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.22 0.533 . . . . 2.04 110.269 178.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.24 -60.97 2.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.123 -0.944 . . . . 1.0600000000000001 111.713 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -57.14 -48.68 78.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.711 -0.677 . . . . 0.34000000000000002 112.795 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.431 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 10.5 mmm180 -82.7 -4.67 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.641 0.258 . . . . 1.3899999999999999 111.514 -175.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt 60.67 27.42 17.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.647 -0.706 . . . . 1.8700000000000001 111.552 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.513 HD12 HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -101.9 -168.29 1.52 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.752 -0.658 . . . . 1.0700000000000001 110.252 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -145.93 95.08 2.58 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.513 HD21 HD12 ' A' ' 36' ' ' LEU . 1.5 pt? -128.44 163.14 25.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.468 0.652 . . . . 1.1599999999999999 110.919 -173.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 p -91.93 156.81 17.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.024 -1.102 . . . . 0.83999999999999997 108.024 169.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.724 HG23 ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -50.39 -37.17 14.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 C-N-CA 120.273 -0.571 . . . . 1.0800000000000001 110.79 177.779 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.593 ' O ' ' HG3' ' A' ' 45' ' ' MET . 30.1 mt-10 -53.12 -51.25 62.54 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.465 0.478 . . . . 0.81999999999999995 110.168 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.491 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 34.6 m-20 -55.41 -41.14 72.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.494 -0.321 . . . . 0.66000000000000003 111.332 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 3.2 t80 -60.32 -51.21 70.5 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.368 0.604 . . . . 0.32000000000000001 109.446 176.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 3.5 mt -57.96 -32.2 67.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.432 -1.258 . . . . 1.0600000000000001 109.567 -174.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.593 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 73.7 mtp -64.33 -59.04 4.85 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.637 0.585 . . . . 1.9099999999999999 110.893 174.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 23.2 mt -49.3 -54.36 17.37 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.551 0.691 . . . . 1.0600000000000001 110.845 178.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.604 ' HE ' ' CD ' ' A' ' 23' ' ' GLU . 1.1 ttt180 -58.23 -53.55 56.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.599 -1.182 . . . . 2.6899999999999999 110.723 178.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.859 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 7.9 m170 -42.67 -60.69 1.47 Allowed 'General case' 0 C--O 1.218 -0.588 0 O-C-N 123.602 0.564 . . . . 0.64000000000000001 111.342 175.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 45' ' ' MET . 18.7 mtt180 -56.19 -45.92 79.61 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.208 -0.597 . . . . 0.92000000000000004 109.92 -173.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.68 -58.74 7.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.604 -0.725 . . . . 1.1899999999999999 111.496 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.578 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . . . -55.44 -40.27 71.35 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.616 0.599 . . . . 1.25 112.616 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.859 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 21.2 mt -80.67 -70.02 0.56 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.491 -0.322 . . . . 1.0900000000000001 110.592 -174.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.51 28.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.23 -0.986 . . . . 0.55000000000000004 113.427 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 49' ' ' ARG . . . -109.17 139.54 43.94 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.482 0.658 . . . . 1.0800000000000001 111.376 177.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -118.95 52.64 1.04 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.413 -0.812 . . . . 1.9299999999999999 111.385 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -75.95 130.77 38.98 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.729 -0.841 . . . . 0.93000000000000005 108.729 170.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.619 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.8 p-10 -40.42 -42.59 1.63 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 116.295 1.961 . . . . 0.71999999999999997 116.295 -169.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.65 -38.28 87.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 119.475 1.034 . . . . 2.3100000000000001 109.952 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 62' ' ' PHE . . . -73.18 -32.45 64.84 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.368 -1.287 . . . . 1.03 111.697 176.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 57' ' ' ASN . 4.2 m -73.86 -39.96 52.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 C-N-CA 119.783 -0.767 . . . . 1.0700000000000001 110.15 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -65.48 -26.19 67.82 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.036 -0.529 . . . . 2.3399999999999999 110.358 174.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.457 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 89.7 t80 -66.92 -59.69 3.29 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.71 -0.677 . . . . 0.20999999999999999 110.21 174.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.58 ' HB2' ' ND2' ' A' ' 67' ' ' ASN . 4.0 ppt_? -63.67 -48.56 76.67 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 112.659 0.614 . . . . 1.8899999999999999 112.659 -176.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.4 ' H ' ' HD2' ' A' ' 63' ' ' ARG . 34.7 p -45.33 -38.29 5.61 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 111.969 0.359 . . . . 1.77 111.969 175.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.457 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 4.0 t90 -86.13 -42.26 14.03 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.015 0.376 . . . . 0.28000000000000003 112.015 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.557 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 7.6 t-105 -77.88 -24.37 48.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.759 0.281 . . . . 0.46000000000000002 111.759 -171.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.58 ' ND2' ' HB2' ' A' ' 63' ' ' ARG . 68.4 m-20 -85.34 -6.07 59.26 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.236 0.541 . . . . 0.51000000000000001 111.297 -176.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.6 t -94.26 -16.96 23.14 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.482 0.658 . . . . 1.4299999999999999 109.587 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HG3' ' H ' ' A' ' 70' ' ' THR . 5.2 ptp180 -114.15 -65.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.361 -0.836 . . . . 2.2200000000000002 111.213 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.486 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 44.1 m -98.61 -57.35 2.21 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.176 -0.92 . . . . 1.0900000000000001 111.744 -176.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.507 ' C ' ' HG3' ' A' ' 72' ' ' MET . 52.4 mtpt 74.76 32.26 0.86 Allowed 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.723 1.264 . . . . 1.74 109.574 -170.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.507 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 50.02 -76.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 113.743 -1.571 . . . . 1.71 114.808 175.328 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 98.2 74.66 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 107.17 -1.418 . . . . 1.26 107.17 -162.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.578 ' ND2' ' HA ' ' A' ' 51' ' ' ALA . 1.5 m-20 -47.43 85.32 0.0 OUTLIER 'General case' 0 C--O 1.235 0.3 0 CA-C-N 113.298 -1.774 . . . . 2.3700000000000001 112.397 -169.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 65.11 21.25 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.339 -0.846 . . . . 2.3799999999999999 111.253 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.534 -0.746 . . . . 2.1699999999999999 110.726 176.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 112.165 -0.374 . . . . 1.8799999999999999 112.165 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.554 HG22 ' HA ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -120.74 -157.05 0.7 Allowed 'General case' 0 N--CA 1.435 -1.18 0 CA-C-O 121.553 0.692 . . . . 1.21 110.928 179.783 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.564 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.6 m-85 -140.9 -161.94 1.29 Allowed 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.377 -1.283 . . . . 1.02 109.051 -173.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.451 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 35.8 ttp180 -163.72 146.36 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.221 -0.445 . . . . 2.3700000000000001 110.179 169.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.89 42.77 99.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 1.3899999999999999 112.463 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.564 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -149.99 34.18 0.67 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.351 0.596 . . . . 2.3700000000000001 110.571 -179.156 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.66 27.45 71.0 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.309 -0.948 . . . . 1.05 110.935 -175.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -50.07 126.81 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 CA-C-O 121.935 0.874 . . . . 1.0800000000000001 112.543 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.64 -19.55 15.39 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 113.948 -1.478 . . . . 1.1399999999999999 109.174 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.736 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.32 165.91 0.11 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.124 -0.944 . . . . 1.8100000000000001 109.526 176.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.596 ' O ' HD13 ' A' ' 19' ' ' LEU . 8.3 t -60.79 168.89 2.09 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.293 -0.879 . . . . 1.22 110.554 175.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.59 -44.06 95.13 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.225 0.824 . . . . 2.1499999999999999 113.225 -167.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 32.3 t70 -78.91 -63.48 1.41 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.261 0.467 . . . . 2.0499999999999998 112.261 -171.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.736 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 28.8 mt-10 -45.98 -37.59 6.72 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.604 0.964 . . . . 2.0099999999999998 113.604 -174.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.819 ' CE2' HG22 ' A' ' 40' ' ' VAL . 37.1 t80 -64.43 -58.51 6.23 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.089 0.471 . . . . 0.92000000000000004 110.329 -177.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -40.79 61.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.137 0.494 . . . . 1.8 111.21 171.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.584 ' HB3' ' CZ2' ' A' ' 66' ' ' TRP . 13.1 mm-40 -69.32 -22.89 63.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 1.27 111.683 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -63.8 -36.97 85.65 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.19 110.105 174.553 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 40.4 mtm180 -62.16 -36.25 81.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.731 -0.668 . . . . 3.0699999999999998 109.357 177.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.82 -38.33 73.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.93 -0.577 . . . . 0.96999999999999997 110.715 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.456 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 13.2 t-160 -51.59 -41.79 61.46 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.179 -0.464 . . . . 0.19 110.369 173.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.511 ' OD1' HD22 ' A' ' 38' ' ' LEU . 27.3 m-20 -53.91 -48.05 70.56 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.35 0.595 . . . . 2.04 110.655 175.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.23 -60.48 2.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.194 -0.912 . . . . 1.0600000000000001 112.155 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 t -58.97 -42.4 89.85 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.02 0.748 . . . . 0.34000000000000002 113.02 -171.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -92.31 6.9 45.12 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.972 0.73 . . . . 1.3899999999999999 112.972 -171.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.55 54.68 8.95 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.039 -0.528 . . . . 1.8700000000000001 111.028 177.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.505 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -144.24 -175.04 4.46 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.921 -0.77 . . . . 1.0700000000000001 108.921 -176.551 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -149.24 93.46 2.08 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.098 -0.705 . . . . 1.0 109.098 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.511 HD22 ' OD1' ' A' ' 31' ' ' ASN . 2.3 pt? -123.31 154.63 38.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.308 0.575 . . . . 1.1599999999999999 110.621 -176.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -83.7 168.93 15.81 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.038 -0.983 . . . . 0.83999999999999997 108.808 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.819 HG22 ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -63.96 -42.11 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 C-N-CA 119.928 -0.709 . . . . 1.0800000000000001 110.613 -174.558 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' A' ' 45' ' ' MET . 24.5 mt-10 -45.89 -54.72 7.72 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.793 0.683 . . . . 0.81999999999999995 110.131 178.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.499 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 7.1 m-20 -54.67 -42.6 71.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.518 -0.764 . . . . 0.66000000000000003 111.608 178.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 16.5 t80 -60.89 -54.39 45.61 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.46 0.648 . . . . 0.32000000000000001 109.655 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.651 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 2.9 mt -54.32 -33.78 59.6 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 114.224 -1.353 . . . . 1.0600000000000001 109.609 -176.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.615 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 81.0 mtp -60.89 -59.09 5.93 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.469 0.481 . . . . 1.9099999999999999 110.866 174.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 22.1 mt -48.1 -52.76 19.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.151 -0.931 . . . . 1.0600000000000001 111.88 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.478 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -69.33 -42.37 75.42 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.888 -0.325 . . . . 2.6899999999999999 110.503 -179.481 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.913 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -47.5 -64.19 0.85 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.826 -0.625 . . . . 0.64000000000000001 110.964 176.235 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HB3' ' HB2' ' A' ' 54' ' ' ALA . 17.0 mtt180 -54.63 -50.97 66.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.045 0.45 . . . . 0.92000000000000004 110.808 -172.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.56 -54.04 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.924 -1.035 . . . . 1.1899999999999999 111.461 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.557 ' HB2' HD21 ' A' ' 74' ' ' ASN . . . -63.52 -37.71 88.36 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.606 0.595 . . . . 1.25 112.606 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.913 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 15.5 mt -84.7 -73.95 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.117 -0.233 . . . . 1.0900000000000001 110.583 -172.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.93 39.32 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.467 -0.873 . . . . 0.55000000000000004 112.645 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -122.16 141.87 50.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.014 0.435 . . . . 1.0800000000000001 110.24 178.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -116.53 41.24 2.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.83 0.678 . . . . 1.9299999999999999 112.83 -172.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 3.6 t70 -63.51 125.67 24.98 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.935 -0.765 . . . . 0.93000000000000005 108.935 170.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.503 ' O ' HG23 ' A' ' 60' ' ' VAL . 3.2 p-10 -46.07 -36.05 5.42 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 115.181 1.549 . . . . 0.71999999999999997 115.181 -171.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -62.55 -44.12 97.12 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.663 -0.866 . . . . 2.3100000000000001 108.663 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.72 88.48 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 113.771 -1.558 . . . . 1.03 111.489 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 57' ' ' ASN . 2.8 m -76.06 -37.4 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 119.939 -0.704 . . . . 1.0700000000000001 110.581 -176.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -70.8 -31.28 67.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 120.879 0.371 . . . . 2.3399999999999999 110.428 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.429 ' HE2' ' SD ' ' A' ' 72' ' ' MET . 81.0 t80 -60.42 -53.25 59.78 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 108.966 -0.753 . . . . 0.20999999999999999 108.966 170.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.509 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -48.88 -59.27 3.73 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.72 -1.127 . . . . 1.8899999999999999 110.715 175.374 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.8 t -41.04 -60.11 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.936 0.772 . . . . 1.77 111.996 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.451 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 8.1 t90 -67.8 -53.05 30.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.692 0.282 . . . . 0.28000000000000003 111.572 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.585 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 23.3 t-105 -68.25 -27.24 66.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.375 -0.375 . . . . 0.46000000000000002 111.61 -169.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.528 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 15.4 m-80 -90.1 -1.26 57.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.967 0.358 . . . . 0.51000000000000001 111.967 -176.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -94.01 -15.91 24.39 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.983 0.897 . . . . 1.4299999999999999 109.396 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.98 -64.14 1.35 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.377 -1.283 . . . . 2.2200000000000002 110.319 -175.16 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -95.59 -64.83 1.02 Allowed 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 114.579 -1.191 . . . . 1.0900000000000001 111.913 -176.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HG2' ' HA ' ' A' ' 67' ' ' ASN . 36.3 mtpt 63.72 85.85 0.13 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.201 -1.363 . . . . 1.74 107.762 -159.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.585 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 4.5 ptt? -34.67 172.73 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 112.218 -2.265 . . . . 1.71 115.938 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -108.97 65.61 0.62 Allowed 'General case' 0 N--CA 1.431 -1.381 0 N-CA-C 106.717 -1.586 . . . . 1.26 106.717 -178.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.557 HD21 ' HB2' ' A' ' 51' ' ' ALA . 6.2 m120 -41.14 84.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 125.977 2.048 . . . . 2.3700000000000001 112.628 -173.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 60.65 19.3 9.29 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.292 0.637 . . . . 2.3799999999999999 112.066 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.766 -0.635 . . . . 2.1699999999999999 110.074 177.634 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.864 0 N-CA-C 112.002 -0.439 . . . . 1.8799999999999999 112.002 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.593 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -114.42 -152.27 0.5 Allowed 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 121.61 0.719 . . . . 1.21 111.08 -178.221 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.593 ' HB2' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -139.17 -157.1 0.74 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.555 -1.202 . . . . 1.02 109.953 -171.737 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' HA ' HG22 ' A' ' 17' ' ' VAL . 11.9 ttp180 -158.55 176.6 12.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.245 -1.391 . . . . 2.3700000000000001 107.245 170.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.417 ' C ' ' H ' ' A' ' 16' ' ' GLY . . . 86.91 -62.6 4.19 Favored Glycine 0 CA--C 1.509 -0.324 0 C-N-CA 119.16 -1.495 . . . . 1.3899999999999999 113.845 171.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.593 ' HD3' ' HB2' ' A' ' 12' ' ' TYR . 6.6 ptm180 -65.97 28.5 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 125.175 1.39 . . . . 2.3700000000000001 113.698 -175.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 14' ' ' GLY . . . 77.77 -33.71 1.65 Allowed Glycine 0 C--O 1.227 -0.335 0 C-N-CA 120.626 -0.797 . . . . 1.05 111.202 -172.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.533 ' H ' ' C ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 45.6 116.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.873 1.669 . . . . 1.0800000000000001 114.482 176.135 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.38 -24.97 39.39 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.017 -1.447 . . . . 1.1399999999999999 109.868 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.704 HD23 ' N ' ' A' ' 24' ' ' TYR . 44.5 tp 60.03 -172.17 0.13 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.308 -0.86 . . . . 1.8100000000000001 109.12 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.438 ' H ' ' HG ' ' A' ' 19' ' ' LEU . 14.4 t -86.79 177.98 7.14 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 119.273 -0.971 . . . . 1.22 109.472 176.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.16 -50.69 65.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.627 0.251 . . . . 2.1499999999999999 111.36 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -66.95 -63.49 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.119 -0.491 . . . . 2.0499999999999998 111.145 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -45.53 -48.92 14.19 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.628 0.973 . . . . 2.0099999999999998 113.628 -173.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.816 ' CE2' HG21 ' A' ' 40' ' ' VAL . 30.4 t80 -66.14 -52.77 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.233 0.539 . . . . 0.92000000000000004 110.579 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.26 -43.87 71.33 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.345 -0.843 . . . . 1.8 110.494 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.688 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 18.3 mm-40 -68.72 -26.13 65.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.582 -0.736 . . . . 1.27 111.749 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.58 ' CD2' HG22 ' A' ' 40' ' ' VAL . 2.5 t90 -61.48 -38.21 86.47 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.068 0.461 . . . . 0.19 110.323 175.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -63.67 -29.97 71.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.578 -0.737 . . . . 3.0699999999999998 109.373 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.15 -40.4 59.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.949 -0.569 . . . . 0.96999999999999997 110.786 172.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.421 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 16.3 t-160 -50.81 -42.77 58.53 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.576 -0.284 . . . . 0.19 110.287 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.634 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 44.4 t-20 -54.18 -56.75 15.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.798 0.686 . . . . 2.04 110.236 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.56 -59.75 4.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.219 -0.9 . . . . 1.0600000000000001 112.297 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.4 t -59.34 -39.81 84.34 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.101 0.778 . . . . 0.34000000000000002 113.101 -171.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -93.92 -3.49 51.58 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.585 -0.446 . . . . 1.3899999999999999 112.018 -176.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 65.01 22.31 12.4 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.351 0.596 . . . . 1.8700000000000001 111.314 172.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.634 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -92.82 -163.18 1.01 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.76 -0.655 . . . . 1.0700000000000001 109.426 176.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -148.05 45.52 1.08 Allowed 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.524 -1.288 . . . . 1.0 107.524 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -73.9 155.15 39.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.871 -1.513 . . . . 1.1599999999999999 110.485 -173.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -103.4 155.42 18.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.077 -1.083 . . . . 0.83999999999999997 108.077 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.816 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -47.03 -43.53 7.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 114.02 1.119 . . . . 1.0800000000000001 114.02 -170.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 45' ' ' MET . 39.5 mt-10 -48.93 -50.98 32.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 118.271 0.487 . . . . 0.81999999999999995 110.776 -177.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.586 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 4.2 m-20 -58.86 -38.45 78.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.66000000000000003 111.816 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.523 ' HD1' ' CD2' ' A' ' 44' ' ' LEU . 54.6 t80 -60.42 -50.11 74.88 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 108.848 -0.797 . . . . 0.32000000000000001 108.848 175.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.596 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 1.6 mt -60.54 -33.14 72.23 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.046 -1.434 . . . . 1.0600000000000001 109.99 -174.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.553 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 88.9 mtp -64.68 -57.14 9.84 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.704 0.627 . . . . 1.9099999999999999 110.464 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 28.6 mt -50.24 -56.78 9.68 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.949 -0.569 . . . . 1.0600000000000001 111.79 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.58 ' HE ' ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -61.44 -43.13 99.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.589 . . . . 2.6899999999999999 110.747 -177.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.909 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -47.5 -64.67 0.72 Allowed 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.749 -0.66 . . . . 0.64000000000000001 110.882 172.28 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' A' ' 45' ' ' MET . 5.9 mtt180 -59.24 -43.19 92.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.108 0.48 . . . . 0.92000000000000004 110.557 -168.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.7 84.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.972 -1.013 . . . . 1.1899999999999999 111.77 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB1' ' ND2' ' A' ' 74' ' ' ASN . . . -81.74 -35.99 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.184 0.439 . . . . 1.25 112.184 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.909 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 20.3 mt -71.68 -75.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.517 -0.549 . . . . 1.0900000000000001 109.517 -176.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.62 1.41 0.02 OUTLIER Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.135 -1.031 . . . . 0.55000000000000004 113.173 170.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -81.08 128.68 33.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.342 0.592 . . . . 1.0800000000000001 111.299 -176.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -108.62 39.53 1.98 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.547 -0.751 . . . . 1.9299999999999999 111.956 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -70.17 121.29 17.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.547 -0.909 . . . . 0.93000000000000005 108.547 173.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 60' ' ' VAL . 4.4 p-10 -38.0 -40.62 0.49 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 116.235 1.939 . . . . 0.71999999999999997 116.235 -170.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.4 p-10 -59.19 -36.4 75.29 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.616 1.098 . . . . 2.3100000000000001 110.131 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -75.06 -33.97 61.76 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.663 -1.153 . . . . 1.03 111.51 176.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 57' ' ' ASN . 3.0 m -75.26 -35.85 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.011 -0.675 . . . . 1.0700000000000001 110.275 -176.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -70.3 -31.29 68.56 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.171 -0.468 . . . . 2.3399999999999999 110.082 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.414 ' HB2' HD13 ' A' ' 46' ' ' LEU . 83.7 t80 -62.14 -53.75 50.86 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 108.85 -0.796 . . . . 0.20999999999999999 108.85 171.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' HA ' HD21 ' A' ' 67' ' ' ASN . 0.3 OUTLIER -50.41 -60.3 3.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.171 -0.922 . . . . 1.8899999999999999 111.156 175.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 t -41.87 -51.73 4.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.049 0.843 . . . . 1.77 112.544 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.486 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 5.7 t90 -77.26 -45.41 26.47 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.032 0.382 . . . . 0.28000000000000003 112.032 -177.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.688 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 41.3 t-105 -76.37 -58.39 3.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.45 -0.341 . . . . 0.46000000000000002 111.326 -172.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.506 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 38.9 m-80 -54.97 -4.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.236 1.199 . . . . 0.51000000000000001 114.236 172.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -91.23 -20.19 22.2 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.322 -0.551 . . . . 1.4299999999999999 110.129 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.475 ' HG3' ' H ' ' A' ' 70' ' ' THR . 6.8 ptp180 -112.68 -60.68 1.84 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.927 -0.579 . . . . 2.2200000000000002 111.622 -178.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.475 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 14.5 m -98.68 -61.3 1.39 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.187 -0.915 . . . . 1.0900000000000001 112.492 -173.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.633 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.5 mtpt 80.69 9.27 1.16 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 114.422 -1.263 . . . . 1.74 111.454 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.637 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 44.77 -164.64 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 115.052 1.501 . . . . 1.71 115.052 168.53 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 75' ' ' ASP . . . -147.05 23.33 1.2 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.339 -1.3 . . . . 1.26 109.913 176.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.539 ' ND2' ' HB1' ' A' ' 51' ' ' ALA . 29.2 t-20 50.34 -70.4 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 113.369 -1.741 . . . . 2.3700000000000001 112.672 -171.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 73' ' ' ALA . 33.2 t70 -144.21 1.03 1.07 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 123.083 0.553 . . . . 2.3799999999999999 109.865 -175.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.785 -0.626 . . . . 2.1699999999999999 111.021 -172.699 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 112.229 -0.348 . . . . 1.8799999999999999 112.229 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.62 HG22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -87.6 -141.66 0.11 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 120.913 0.387 . . . . 1.21 110.451 -178.241 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.712 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.8 m-85 -144.27 -164.65 1.95 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.292 -0.632 . . . . 1.02 109.292 -174.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -167.71 119.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.786 -0.643 . . . . 2.3700000000000001 109.802 169.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.498 ' HA2' ' OE1' ' A' ' 41' ' ' GLU . . . 114.68 -45.69 1.27 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.277 -0.963 . . . . 1.3899999999999999 113.145 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.712 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -80.19 56.48 2.46 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.117 0.784 . . . . 2.3700000000000001 113.117 -172.618 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.5 28.13 72.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.103 -1.046 . . . . 1.05 111.557 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.606 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -50.9 137.9 8.04 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 N-CA-C 113.818 1.044 . . . . 1.0800000000000001 113.818 -175.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.29 -9.22 12.84 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 113.769 -1.56 . . . . 1.1399999999999999 109.24 174.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 20' ' ' THR . 3.3 tm? 59.29 172.54 0.07 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.208 -0.906 . . . . 1.8100000000000001 109.601 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.734 ' N ' HD12 ' A' ' 19' ' ' LEU . 7.2 t -60.2 164.51 4.1 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.049 -1.032 . . . . 1.22 110.082 172.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -62.99 -44.26 96.52 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.125 0.787 . . . . 2.1499999999999999 113.125 -163.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.96 -60.73 2.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.855 0.359 . . . . 2.0499999999999998 111.866 -172.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.691 ' OE1' ' HD2' ' A' ' 47' ' ' ARG . 5.5 mt-10 -45.79 -35.87 4.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.438 1.273 . . . . 2.0099999999999998 114.438 -177.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.705 ' CE2' HG22 ' A' ' 40' ' ' VAL . 29.4 t80 -64.56 -58.54 6.08 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.02 -0.425 . . . . 0.92000000000000004 110.252 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.38 -40.23 64.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.621 0.724 . . . . 1.8 110.936 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.534 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 9.0 mm-40 -68.46 -20.1 64.6 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.596 -0.729 . . . . 1.27 111.983 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.624 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -67.62 -34.05 76.19 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.027 0.442 . . . . 0.19 109.826 172.699 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -36.01 74.63 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.671 -0.695 . . . . 3.0699999999999998 109.207 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -73.88 -38.65 64.35 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.535 -0.757 . . . . 0.96999999999999997 110.88 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -50.55 -42.78 55.77 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 110.18 -0.304 . . . . 0.19 110.18 173.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.504 ' ND2' ' HA ' ' A' ' 37' ' ' ASP . 25.9 t-20 -52.65 -50.34 63.39 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.745 0.653 . . . . 2.04 109.928 175.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.36 -61.06 2.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.035 -0.984 . . . . 1.0600000000000001 112.358 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.9 t -59.13 -37.4 77.16 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.446 0.906 . . . . 0.34000000000000002 113.446 -169.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.616 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 15.3 mmm180 -93.76 1.8 56.41 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.325 -0.55 . . . . 1.3899999999999999 111.681 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER 54.73 53.99 9.78 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.208 -0.905 . . . . 1.8700000000000001 110.433 177.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -137.37 -175.82 4.19 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.326 -0.99 . . . . 1.0700000000000001 108.326 -177.561 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.504 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 27.0 t70 -146.46 77.25 1.47 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.766 0.793 . . . . 1.0 109.998 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.443 ' H ' HD22 ' A' ' 38' ' ' LEU . 2.1 pt? -106.04 155.47 19.37 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.925 -1.034 . . . . 1.1599999999999999 110.566 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.5 m -84.63 167.58 16.1 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 114.944 -1.026 . . . . 0.83999999999999997 108.932 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.705 HG22 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -63.3 -43.12 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 C-N-CA 120.111 -0.635 . . . . 1.0800000000000001 110.721 -172.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.498 ' OE1' ' HA2' ' A' ' 14' ' ' GLY . 36.2 mt-10 -49.68 -50.11 44.89 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.623 0.577 . . . . 0.81999999999999995 110.591 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.519 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.3 m-20 -57.23 -38.79 74.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.777 0.288 . . . . 0.66000000000000003 111.777 177.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.624 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 3.7 t80 -62.6 -51.57 66.78 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.107 -0.701 . . . . 0.32000000000000001 109.107 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.595 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 2.9 mt -57.09 -31.87 65.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.519 -1.218 . . . . 1.0600000000000001 110.165 -176.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.535 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 59.2 mtm -63.11 -58.47 7.15 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.248 0.342 . . . . 1.9099999999999999 110.505 171.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 16.9 mt -47.47 -55.14 9.67 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.658 -0.701 . . . . 1.0600000000000001 111.946 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.691 ' HD2' ' OE1' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -64.45 -44.77 90.07 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 116.31 -0.404 . . . . 2.6899999999999999 110.462 -178.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.928 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -47.0 -64.06 0.88 Allowed 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.981 -0.554 . . . . 0.64000000000000001 110.252 174.542 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 45' ' ' MET . 23.4 mtt-85 -57.23 -51.05 70.92 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.234 -0.587 . . . . 0.92000000000000004 110.355 -173.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.28 -59.84 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.288 -0.869 . . . . 1.1899999999999999 111.896 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.404 ' HB3' ' ND2' ' A' ' 74' ' ' ASN . . . -60.09 -31.74 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.016 0.747 . . . . 1.25 113.016 -177.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.928 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -87.22 -69.53 0.68 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.627 -0.429 . . . . 1.0900000000000001 110.616 -176.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.89 35.43 0.02 OUTLIER Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.428 -0.892 . . . . 0.55000000000000004 113.191 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.458 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -119.05 141.1 49.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.509 -0.552 . . . . 1.0800000000000001 109.509 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -120.91 47.3 1.84 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.636 0.606 . . . . 1.9299999999999999 112.636 -171.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 15.3 t70 -66.81 126.56 29.41 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.685 -0.857 . . . . 0.93000000000000005 108.685 168.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.669 ' O ' HG21 ' A' ' 60' ' ' VAL . 7.4 p-10 -45.91 -37.59 6.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 115.146 1.536 . . . . 0.71999999999999997 115.146 -169.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -63.12 -40.31 97.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 119.356 0.98 . . . . 2.3100000000000001 109.152 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 62' ' ' PHE . . . -66.17 -32.46 73.91 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.763 -1.562 . . . . 1.03 111.714 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.669 HG21 ' O ' ' A' ' 57' ' ' ASN . 2.8 m -76.19 -37.38 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 C-N-CA 119.76 -0.776 . . . . 1.0700000000000001 109.813 -177.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 24.0 mtpt -64.69 -30.8 71.83 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.378 0.608 . . . . 2.3399999999999999 109.9 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.453 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 89.1 t80 -64.86 -57.71 8.13 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.19 -0.914 . . . . 0.20999999999999999 108.86 173.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -50.68 -61.47 2.18 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.266 -0.879 . . . . 1.8899999999999999 111.743 178.233 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.448 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 59.0 m -46.63 -42.7 16.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.974 0.731 . . . . 1.77 112.974 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.616 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 6.5 t90 -81.35 -48.85 11.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.038 0.446 . . . . 0.28000000000000003 111.614 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.534 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 25.8 t-105 -74.62 -24.37 58.85 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.931 -0.577 . . . . 0.46000000000000002 111.523 -172.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 18.1 m-80 -92.94 -0.13 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.938 0.399 . . . . 0.51000000000000001 111.7 -176.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -93.86 -15.93 24.56 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.56 0.695 . . . . 1.4299999999999999 109.203 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.5 ptp180 -114.91 -59.28 2.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.81 -1.086 . . . . 2.2200000000000002 111.02 -173.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.507 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 22.6 m -102.2 -59.28 1.73 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.477 -1.238 . . . . 1.0900000000000001 111.794 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.579 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.6 mtpt 72.27 26.79 2.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.299 -1.319 . . . . 1.74 109.43 -169.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.61 ' HB2' ' OE2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER 44.59 -165.35 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 113.388 -1.733 . . . . 1.71 115.316 169.564 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 20' ' ' THR . . . -157.07 73.36 0.75 Allowed 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 114.226 -1.352 . . . . 1.26 108.377 -178.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.404 ' ND2' ' HB3' ' A' ' 51' ' ' ALA . 35.9 t-20 -28.6 -55.52 0.12 Allowed 'General case' 0 N--CA 1.475 0.795 0 O-C-N 125.119 1.512 . . . . 2.3700000000000001 112.615 -170.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -148.77 23.06 0.99 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.446 0.641 . . . . 2.3799999999999999 109.558 171.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.245 0.844 0 CA-C-N 115.185 -0.916 . . . . 2.1699999999999999 110.562 -175.337 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 112.072 -0.411 . . . . 1.8799999999999999 112.072 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.572 HG22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -145.37 -142.64 0.13 Allowed 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.804 -0.813 . . . . 1.21 108.804 176.659 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.633 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-85 -142.77 -167.05 2.42 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.423 -0.584 . . . . 1.02 109.423 -177.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' NE ' ' HB3' ' A' ' 41' ' ' GLU . 27.3 ttt180 -156.53 141.67 17.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.499 0.499 . . . . 2.3700000000000001 110.352 167.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.16 -33.95 2.43 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 121.204 -0.522 . . . . 1.3899999999999999 113.668 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.633 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -76.95 47.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.364 0.505 . . . . 2.3700000000000001 112.364 -176.336 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.16 28.95 73.16 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.338 -0.934 . . . . 1.05 111.088 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.523 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -52.67 130.96 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.836 0 CA-C-O 122.281 1.039 . . . . 1.0800000000000001 113.299 -176.278 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.79 -10.14 14.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 113.364 -1.743 . . . . 1.1399999999999999 108.735 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.727 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.3 tm? 59.89 179.48 0.09 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.998 -1.001 . . . . 1.8100000000000001 108.467 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.658 ' N ' HD13 ' A' ' 19' ' ' LEU . 10.1 t -64.59 171.45 3.27 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 120.663 -1.273 . . . . 1.22 109.545 170.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -66.59 -40.15 88.77 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 121.602 -0.686 . . . . 2.1499999999999999 112.732 -167.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -82.01 -64.73 1.12 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.273 0.472 . . . . 2.0499999999999998 112.273 -169.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.727 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 55.7 mt-10 -46.67 -32.91 3.84 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.825 1.046 . . . . 2.0099999999999998 113.825 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.655 ' CE2' HG23 ' A' ' 40' ' ' VAL . 40.2 t80 -64.45 -58.06 7.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.098 0.475 . . . . 0.92000000000000004 110.119 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -55.36 -41.21 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.517 0.675 . . . . 1.8 110.668 173.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.567 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.5 mm-40 -66.83 -22.24 66.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.548 -0.751 . . . . 1.27 111.781 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD2' HG21 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -64.16 -35.7 81.65 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.024 0.44 . . . . 0.19 109.882 173.454 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -61.03 -36.2 78.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.629 -0.714 . . . . 3.0699999999999998 109.333 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -70.87 -41.94 70.72 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.236 -0.438 . . . . 0.96999999999999997 110.615 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -49.71 -43.28 47.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.501 -0.318 . . . . 0.19 110.838 174.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.647 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 8.8 t30 -56.03 -46.79 78.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.262 0.553 . . . . 2.04 110.444 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.84 -60.27 2.81 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.089 -0.959 . . . . 1.0600000000000001 112.028 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.4 t -60.66 -34.66 74.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.456 0.91 . . . . 0.34000000000000002 113.456 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 23.2 mmm180 -96.82 5.26 50.92 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.973 -0.691 . . . . 1.3899999999999999 112.78 -175.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.03 56.59 6.87 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.847 -0.615 . . . . 1.8700000000000001 110.924 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.647 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -140.77 -176.82 4.8 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.766 -0.827 . . . . 1.0700000000000001 108.766 -177.179 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -139.2 68.57 1.37 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.431 -1.322 . . . . 1.0 107.431 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.83 144.42 30.52 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.456 -1.247 . . . . 1.1599999999999999 109.473 -173.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 m -85.04 168.63 14.73 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.915 -0.772 . . . . 0.83999999999999997 108.915 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.655 HG23 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -60.3 -43.19 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 120.534 -0.467 . . . . 1.0800000000000001 110.396 -174.568 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.585 ' O ' ' HG3' ' A' ' 45' ' ' MET . 51.8 mt-10 -44.06 -57.35 3.43 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 123.985 0.803 . . . . 0.81999999999999995 111.324 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.559 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.1 m-20 -59.29 -35.95 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.66000000000000003 111.974 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.535 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 17.0 t80 -60.85 -55.45 32.92 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.15 -0.685 . . . . 0.32000000000000001 109.15 173.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 2.7 mt -53.39 -34.49 57.89 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 114.159 -1.382 . . . . 1.0600000000000001 109.543 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 87.0 mtp -63.74 -58.58 6.42 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.581 0.551 . . . . 1.9099999999999999 111.13 174.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 33.2 mt -48.82 -53.07 20.8 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.823 -0.626 . . . . 1.0600000000000001 111.618 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.606 ' HD2' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -66.27 -42.43 88.46 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.538 -0.301 . . . . 2.6899999999999999 110.39 179.125 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.858 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -46.21 -62.74 1.21 Allowed 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.986 -0.552 . . . . 0.64000000000000001 110.964 174.636 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.424 ' HB3' ' HB1' ' A' ' 54' ' ' ALA . 17.8 mtt180 -56.92 -45.99 82.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.116 0.484 . . . . 0.92000000000000004 110.602 -175.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.26 -57.15 14.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.159 -0.928 . . . . 1.1899999999999999 111.152 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.02 83.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.79 -0.641 . . . . 1.25 112.593 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.858 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 15.4 mt -77.18 -69.06 0.55 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.515 -0.311 . . . . 1.0900000000000001 110.282 -170.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.31 35.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.124 -1.036 . . . . 0.55000000000000004 113.453 173.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 49' ' ' ARG . . . -114.85 139.7 49.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.081 0.467 . . . . 1.0800000000000001 110.23 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -119.12 51.23 1.14 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.146 -0.479 . . . . 1.9299999999999999 112.166 -171.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.409 ' O ' HG12 ' A' ' 60' ' ' VAL . 20.6 t70 -74.03 128.73 36.3 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.102 -0.703 . . . . 0.93000000000000005 109.102 167.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.532 ' O ' HG23 ' A' ' 60' ' ' VAL . 3.1 p-10 -49.39 -31.69 10.07 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 115.437 1.643 . . . . 0.71999999999999997 115.437 -170.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -64.0 -44.33 92.96 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.579 -0.897 . . . . 2.3100000000000001 108.579 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.2 -35.86 82.38 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.999 -1.455 . . . . 1.03 111.623 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 57' ' ' ASN . 2.4 m -75.14 -36.85 38.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 119.979 -0.689 . . . . 1.0700000000000001 110.834 -175.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 80.9 mttt -73.34 -29.35 62.61 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.98 -0.288 . . . . 2.3399999999999999 110.606 175.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.403 ' HB2' HD11 ' A' ' 46' ' ' LEU . 73.3 t80 -58.64 -54.37 47.84 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.408 -0.96 . . . . 0.20999999999999999 108.408 168.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.82 -59.49 4.05 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.99 -1.005 . . . . 1.8899999999999999 111.386 175.111 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -43.12 -54.7 4.26 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.315 0.487 . . . . 1.77 112.315 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.49 ' CE3' ' HB2' ' A' ' 66' ' ' TRP . 7.8 t90 -70.03 -50.74 38.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.426 . . . . 0.28000000000000003 111.801 -178.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 22.2 t-105 -74.24 -24.58 59.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.225 -0.443 . . . . 0.46000000000000002 111.857 -171.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 18.7 m-80 -93.83 1.39 56.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.982 0.42 . . . . 0.51000000000000001 111.742 -176.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -94.14 -16.4 23.78 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.971 -0.752 . . . . 1.4299999999999999 108.971 172.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.501 ' HG3' ' H ' ' A' ' 70' ' ' THR . 9.3 ptp180 -114.42 -62.64 1.57 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.884 -1.053 . . . . 2.2200000000000002 111.039 -173.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.501 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 25.9 m -99.31 -57.39 2.17 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.64 -1.163 . . . . 1.0900000000000001 111.659 -174.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.561 ' C ' ' HG3' ' A' ' 72' ' ' MET . 30.1 mtpt 74.35 21.16 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 113.994 -1.457 . . . . 1.74 110.229 -173.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.561 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 43.74 -164.48 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.113 1.523 . . . . 1.71 115.113 170.441 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 76' ' ' TYR . . . -163.1 79.94 0.47 Allowed 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.448 -1.251 . . . . 1.26 108.504 -173.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -31.96 -56.96 0.3 Allowed 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.978 1.424 . . . . 2.3700000000000001 112.217 -172.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -149.58 32.9 0.71 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.82 -0.807 . . . . 2.3799999999999999 108.82 174.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.44 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 91.0 m-85 . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.188 -0.915 . . . . 2.1699999999999999 110.267 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.279 -0.328 . . . . 1.8799999999999999 112.279 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.402 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -156.23 -147.24 0.19 Allowed 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.5 -0.926 . . . . 1.21 108.5 177.341 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.662 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 -141.67 -167.16 2.37 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.021 -0.363 . . . . 1.02 110.021 -173.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 33.4 ttp-105 -157.94 141.37 15.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 2.3700000000000001 109.919 168.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.85 -32.84 2.41 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.974 -0.631 . . . . 1.3899999999999999 113.706 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.662 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -80.05 47.57 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.477 0.547 . . . . 2.3700000000000001 112.477 -174.616 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.66 28.42 73.16 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.263 -0.97 . . . . 1.05 111.109 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.555 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -53.14 131.4 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 122.069 0.938 . . . . 1.0800000000000001 113.079 -177.232 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.09 -9.58 13.53 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 113.619 -1.628 . . . . 1.1399999999999999 109.429 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.65 HD23 ' CD2' ' A' ' 44' ' ' LEU . 59.1 tp 54.77 -169.17 0.07 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.327 -0.851 . . . . 1.8100000000000001 109.317 178.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.567 ' H ' ' HG ' ' A' ' 19' ' ' LEU . 9.0 t -77.06 169.14 18.88 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.802 -1.159 . . . . 1.22 109.719 173.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -58.98 -54.25 49.24 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.809 0.338 . . . . 2.1499999999999999 111.021 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 28.7 t70 -68.28 -63.06 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.933 -0.576 . . . . 2.0499999999999998 111.403 -174.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' OE2' ' HB2' ' A' ' 72' ' ' MET . 47.5 mt-10 -49.37 -39.7 33.02 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.523 0.934 . . . . 2.0099999999999998 113.523 -174.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.775 ' CE2' HG23 ' A' ' 40' ' ' VAL . 39.1 t80 -64.83 -54.59 28.63 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.235 0.541 . . . . 0.92000000000000004 110.023 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.17 -41.36 62.54 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 1.8 111.228 171.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.621 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 13.3 mm-40 -67.75 -24.36 65.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.154 -0.476 . . . . 1.27 111.493 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.592 ' HB2' ' CG ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -62.17 -38.55 89.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.997 0.427 . . . . 0.19 110.02 173.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -62.03 -33.28 74.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.582 -0.735 . . . . 3.0699999999999998 109.55 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -76.18 -39.11 55.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.96999999999999997 110.956 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.439 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 11.4 t-160 -49.84 -41.37 44.87 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.355 -0.239 . . . . 0.19 110.355 172.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.407 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 26.4 t-20 -55.09 -51.36 66.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.905 -0.589 . . . . 2.04 110.063 175.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.89 -60.95 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.135 -0.939 . . . . 1.0600000000000001 112.396 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.3 t -57.18 -45.91 83.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.855 0.687 . . . . 0.34000000000000002 112.855 -172.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -84.75 -4.01 58.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.659 -0.416 . . . . 1.3899999999999999 111.355 -177.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp 61.07 26.24 16.19 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.828 -0.624 . . . . 1.8700000000000001 111.387 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.514 HD11 HD21 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -103.0 -168.36 1.51 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.565 -0.743 . . . . 1.0700000000000001 110.194 -179.309 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -143.38 105.9 4.45 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 108.991 -0.744 . . . . 1.0 108.991 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.514 HD21 HD11 ' A' ' 36' ' ' LEU . 1.6 pt? -138.59 160.75 38.83 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.817 -0.629 . . . . 1.1599999999999999 110.505 -175.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -97.04 175.95 6.13 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.864 -1.062 . . . . 0.83999999999999997 108.593 171.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.775 HG23 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.54 -39.93 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 C-N-CA 120.16 -0.616 . . . . 1.0800000000000001 110.837 -172.805 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.495 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 40.7 mt-10 -49.06 -48.48 44.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.425 0.453 . . . . 0.81999999999999995 110.725 178.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.481 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.1 m-20 -53.12 -47.33 68.73 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.892 -0.594 . . . . 0.66000000000000003 111.222 176.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.592 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 39.3 t80 -59.33 -52.08 67.18 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-O 121.487 0.66 . . . . 0.32000000000000001 109.558 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.65 ' CD2' HD23 ' A' ' 19' ' ' LEU . 2.5 mt -56.53 -35.15 67.76 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 114.055 -1.43 . . . . 1.0600000000000001 109.915 -174.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.516 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 78.8 mtm -66.79 -58.55 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.457 0.473 . . . . 1.9099999999999999 111.643 175.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 16.6 mt -49.23 -53.33 22.03 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.459 0.647 . . . . 1.0600000000000001 110.733 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.508 HH21 ' N ' ' A' ' 75' ' ' ASP . 3.9 ttt180 -58.99 -54.57 45.64 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.787 -1.097 . . . . 2.6899999999999999 110.647 177.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.868 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.2 m170 -39.57 -62.64 0.66 Allowed 'General case' 0 C--O 1.217 -0.645 0 O-C-N 124.021 0.826 . . . . 0.64000000000000001 111.689 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 45' ' ' MET . 8.4 mtt180 -57.53 -45.81 84.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.899 0.381 . . . . 0.92000000000000004 110.442 -171.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.49 -57.04 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 1.1899999999999999 111.093 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.516 ' HB3' HD21 ' A' ' 74' ' ' ASN . . . -51.1 -45.01 61.37 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.261 0.625 . . . . 1.25 112.368 177.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.868 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.4 mt -83.9 -76.55 0.29 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.238 -0.437 . . . . 1.0900000000000001 110.648 -172.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.81 14.14 0.02 OUTLIER Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.205 -0.998 . . . . 0.55000000000000004 113.709 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -94.01 141.43 28.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.22 0.51 . . . . 1.0800000000000001 110.855 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -123.2 48.76 1.77 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.458 0.54 . . . . 1.9299999999999999 112.458 -176.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.33 127.52 33.33 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.657 -0.868 . . . . 0.93000000000000005 108.657 169.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.642 ' O ' HG23 ' A' ' 60' ' ' VAL . 3.7 p-10 -37.4 -46.63 0.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.793 2.146 . . . . 0.71999999999999997 116.793 -169.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' C ' HD23 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -59.18 -37.2 76.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.766 1.166 . . . . 2.3100000000000001 110.104 -176.591 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . . . -72.0 -33.1 67.83 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.172 -1.376 . . . . 1.03 111.863 176.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 57' ' ' ASN . 3.6 m -75.2 -37.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.788 -0.765 . . . . 1.0700000000000001 110.039 -176.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -65.2 -33.65 76.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.307 0.575 . . . . 2.3399999999999999 110.062 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.475 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 75.2 t80 -62.08 -55.52 28.17 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.386 -0.825 . . . . 0.20999999999999999 109.331 173.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -60.65 2.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.235 -0.893 . . . . 1.8899999999999999 111.075 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.1 m -47.68 -35.96 10.37 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.568 0.951 . . . . 1.77 113.568 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.49 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 6.7 t90 -86.24 -48.48 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.179 -0.325 . . . . 0.28000000000000003 111.577 177.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.621 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 31.1 t-105 -74.03 -22.29 59.62 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 122.695 0.398 . . . . 0.46000000000000002 111.834 -170.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -96.37 1.06 51.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.103 0.477 . . . . 0.51000000000000001 111.25 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.5 m -92.45 -17.7 24.21 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.529 0.681 . . . . 1.4299999999999999 109.683 172.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.52 -65.75 1.15 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.999 -1.0 . . . . 2.2200000000000002 110.898 -174.391 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 31.8 m -96.15 -58.75 2.0 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.625 -1.17 . . . . 1.0900000000000001 112.185 -173.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.634 ' C ' ' HG3' ' A' ' 72' ' ' MET . 23.9 mtmt 72.99 25.9 2.3 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 124.285 0.991 . . . . 1.74 110.748 -171.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.634 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 42.48 -162.97 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.151 1.538 . . . . 1.71 115.151 171.053 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 75' ' ' ASP . . . -156.03 71.49 0.73 Allowed 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.601 -1.182 . . . . 1.26 108.794 -175.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.516 HD21 ' HB3' ' A' ' 51' ' ' ALA . 7.6 m120 -30.55 80.38 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 O-C-N 125.771 1.919 . . . . 2.3700000000000001 113.136 -173.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.529 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 1.8 p30 44.27 36.43 1.56 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.7 0.8 . . . . 2.3799999999999999 112.064 -177.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.296 -0.859 . . . . 2.1699999999999999 110.177 173.316 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 111.902 -0.479 . . . . 1.8799999999999999 111.902 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.578 HG22 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -105.13 -150.44 0.43 Allowed 'General case' 0 N--CA 1.44 -0.951 0 CA-C-O 121.207 0.527 . . . . 1.21 110.633 -179.222 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.565 ' HB2' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -138.25 -155.77 0.63 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.449 -0.796 . . . . 1.02 110.203 -171.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HD2' ' N ' ' A' ' 14' ' ' GLY . 4.7 tmm_? -170.04 138.83 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.062 -1.088 . . . . 2.3700000000000001 108.062 172.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.438 ' N ' ' HD2' ' A' ' 13' ' ' ARG . . . 89.82 54.61 2.16 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 119.45 -1.357 . . . . 1.3899999999999999 112.982 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.565 ' HD3' ' HB2' ' A' ' 12' ' ' TYR . 10.0 ptm180 -178.61 24.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.702 0.287 . . . . 2.3700000000000001 111.276 -174.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.91 28.66 73.88 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.048 -1.072 . . . . 1.05 110.506 -173.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.53 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -38.36 139.31 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 113.868 1.062 . . . . 1.0800000000000001 113.868 -179.486 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.51 -13.23 18.74 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.12 -1.4 . . . . 1.1399999999999999 110.191 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.684 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 61.8 175.15 0.12 Allowed 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.917 0.761 . . . . 1.8100000000000001 109.028 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.616 ' O ' HD12 ' A' ' 19' ' ' LEU . 9.3 t -65.89 -169.83 0.07 Allowed 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.143 -0.973 . . . . 1.22 109.48 168.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -73.91 -57.33 4.05 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.126 -0.984 . . . . 2.1499999999999999 112.918 -172.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.491 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.2 m-20 -66.87 -64.73 0.79 Allowed 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.976 0.732 . . . . 2.0499999999999998 112.976 -170.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.684 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 2.1 mp0 -46.14 -31.94 2.67 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.443 1.275 . . . . 2.0099999999999998 114.443 -174.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.616 ' CD2' HG23 ' A' ' 40' ' ' VAL . 32.7 t80 -69.05 -52.34 29.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 118.421 0.555 . . . . 0.92000000000000004 109.541 -178.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.95 -45.98 82.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.66 -0.7 . . . . 1.8 110.346 171.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.613 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.1 mm-40 -67.45 -24.3 65.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.507 -0.769 . . . . 1.27 111.637 -176.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.668 ' CD2' HG21 ' A' ' 40' ' ' VAL . 2.3 t90 -63.76 -37.54 87.74 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.963 0.411 . . . . 0.19 110.241 174.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 64.6 mtm180 -59.2 -37.73 78.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.744 -0.662 . . . . 3.0699999999999998 109.41 176.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -72.25 -41.16 67.1 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.98 -0.555 . . . . 0.96999999999999997 110.773 174.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.416 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 16.4 t-160 -47.63 -39.52 17.19 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.396 -0.366 . . . . 0.19 110.537 172.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.606 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 31.7 m-80 -58.14 -49.86 75.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 2.04 110.609 176.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.07 -60.67 2.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.472 -0.785 . . . . 1.0600000000000001 111.537 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -57.6 -32.8 67.55 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.172 0.805 . . . . 0.34000000000000002 113.172 -172.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.406 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 17.4 mmm180 -101.73 1.14 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.682 -0.407 . . . . 1.3899999999999999 111.904 -177.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.38 26.76 16.5 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 122.868 0.467 . . . . 1.8700000000000001 111.695 171.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.606 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -106.49 -167.07 1.25 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.14 0.495 . . . . 1.0700000000000001 110.162 178.731 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -144.62 42.66 1.36 Allowed 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.953 -1.129 . . . . 1.0 107.953 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.39 151.27 39.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.071 -1.422 . . . . 1.1599999999999999 110.424 -174.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.0 m -87.3 169.68 12.09 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.457 -0.572 . . . . 0.83999999999999997 109.457 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.668 HG21 ' CD2' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -64.62 -44.81 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 C-N-CA 120.54 -0.464 . . . . 1.0800000000000001 110.415 -173.682 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -53.22 -46.12 68.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.953 -0.567 . . . . 0.81999999999999995 110.846 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.509 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.1 m-20 -56.32 -42.39 77.58 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.221 -0.192 . . . . 0.66000000000000003 111.277 174.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.661 ' CE1' ' HB3' ' A' ' 23' ' ' GLU . 2.2 t80 -60.3 -54.2 48.56 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.319 0.581 . . . . 0.32000000000000001 109.704 175.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 4.3 mt -55.85 -30.09 60.91 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 114.653 -1.158 . . . . 1.0600000000000001 110.418 -173.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.609 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 73.3 mtm -64.66 -55.64 18.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.796 0.685 . . . . 1.9099999999999999 110.042 173.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 21.4 mt -49.22 -56.15 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.453 -0.794 . . . . 1.0600000000000001 111.712 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.548 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -67.22 -44.26 79.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.505 -0.316 . . . . 2.6899999999999999 111.113 -179.028 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.872 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -41.88 -62.8 0.83 Allowed 'General case' 0 C--O 1.219 -0.53 0 O-C-N 123.38 0.425 . . . . 0.64000000000000001 110.475 171.804 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' ' 45' ' ' MET . 23.2 mtt-85 -58.27 -43.33 87.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.907 0.384 . . . . 0.92000000000000004 110.575 -172.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.86 -57.43 12.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 1.1899999999999999 111.326 178.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.86 82.56 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.583 0.586 . . . . 1.25 112.583 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.872 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 18.5 mt -78.14 -74.75 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.69 -0.232 . . . . 1.0900000000000001 110.6 -174.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.48 14.32 0.02 OUTLIER Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.114 -1.041 . . . . 0.55000000000000004 113.599 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -95.48 135.21 37.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.232 0.516 . . . . 1.0800000000000001 110.807 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.69 48.08 1.18 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 1.9299999999999999 111.348 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.1 128.35 35.29 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.039 -0.726 . . . . 0.93000000000000005 109.039 172.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.544 ' O ' HG22 ' A' ' 60' ' ' VAL . 3.6 p-10 -39.51 -45.62 1.59 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 116.649 2.092 . . . . 0.71999999999999997 116.649 -170.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' C ' HD23 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -63.02 -35.69 81.06 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.537 1.062 . . . . 2.3100000000000001 109.957 -177.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.02 -36.51 72.42 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.511 -1.222 . . . . 1.03 111.544 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 57' ' ' ASN . 3.5 m -75.95 -37.9 34.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 119.948 -0.701 . . . . 1.0700000000000001 110.432 -176.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.461 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 81.5 mttt -70.04 -29.98 67.15 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.384 -0.371 . . . . 2.3399999999999999 110.681 175.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.442 ' HB2' HD13 ' A' ' 46' ' ' LEU . 75.8 t80 -61.71 -55.12 33.72 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.793 -0.817 . . . . 0.20999999999999999 108.793 169.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.521 ' HA ' HD21 ' A' ' 67' ' ' ASN . 0.3 OUTLIER -48.56 -58.77 4.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.725 -1.125 . . . . 1.8899999999999999 111.004 176.3 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.9 t -40.41 -47.59 2.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.716 -0.674 . . . . 1.77 112.716 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.562 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.3 t90 -80.53 -47.24 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.902 0.334 . . . . 0.28000000000000003 111.902 -178.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.613 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 44.4 t-105 -79.55 -24.77 41.92 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 111.902 0.334 . . . . 0.46000000000000002 111.902 -170.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.521 HD21 ' HA ' ' A' ' 63' ' ' ARG . 19.2 m-80 -93.74 -2.51 53.65 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 121.383 0.611 . . . . 0.51000000000000001 110.729 -176.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -93.43 -15.41 25.64 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.6 0.714 . . . . 1.4299999999999999 109.158 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 7.7 ptp180 -113.19 -61.59 1.72 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.072 -0.967 . . . . 2.2200000000000002 110.675 -176.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.522 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 19.6 m -103.71 -60.73 1.52 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.874 -1.057 . . . . 1.0900000000000001 112.191 -173.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.483 ' C ' ' HG2' ' A' ' 72' ' ' MET . 45.9 mtpt 74.64 26.74 1.39 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.467 -1.242 . . . . 1.74 110.176 -171.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.536 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 13.7 ptt? 46.98 -169.33 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.584 1.177 . . . . 1.71 113.903 172.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -141.25 66.88 1.35 Allowed 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.79 -1.096 . . . . 1.26 108.603 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -11.2 -70.91 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 O-C-N 125.58 1.8 . . . . 2.3700000000000001 113.729 -171.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -138.56 24.55 2.66 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.196 0.522 . . . . 2.3799999999999999 109.698 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 C--O 1.245 0.817 0 CA-C-N 115.768 -0.651 . . . . 2.1699999999999999 110.773 -174.332 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.837 -0.505 . . . . 1.8799999999999999 111.837 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -127.96 -157.27 0.8 Allowed 'General case' 0 N--CA 1.438 -1.061 0 CA-C-O 121.788 0.804 . . . . 1.21 110.733 -178.611 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.571 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.5 m-85 -132.6 -162.34 1.22 Allowed 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.16 -1.382 . . . . 1.02 108.579 -177.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.455 ' CD ' ' HB3' ' A' ' 41' ' ' GLU . 5.3 tmm_? -166.91 125.66 1.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.986 -0.746 . . . . 2.3700000000000001 108.986 169.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.687 ' HA2' ' OE2' ' A' ' 41' ' ' GLU . . . 109.39 -43.83 1.63 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.183 -1.008 . . . . 1.3899999999999999 113.155 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.571 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -77.69 47.64 0.63 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.048 0.759 . . . . 2.3700000000000001 113.048 -173.279 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 63.42 29.18 73.8 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.346 -0.93 . . . . 1.05 111.249 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -45.29 134.42 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 113.608 0.966 . . . . 1.0800000000000001 113.608 -177.815 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.44 -16.77 14.46 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.05 -1.432 . . . . 1.1399999999999999 109.4 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.755 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.53 173.6 0.14 Allowed 'General case' 0 CA--C 1.544 0.735 0 O-C-N 123.991 0.807 . . . . 1.8100000000000001 109.195 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.603 ' O ' HD13 ' A' ' 19' ' ' LEU . 3.3 t -62.09 158.56 16.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.782 -1.198 . . . . 1.22 110.106 171.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -57.48 -43.66 84.3 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.397 0.517 . . . . 2.1499999999999999 112.397 -171.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.13 -64.32 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.384 0.513 . . . . 2.0499999999999998 112.384 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.755 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 31.6 mm-40 -50.37 -34.45 24.15 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.324 0.861 . . . . 2.0099999999999998 113.324 -174.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.732 ' CE2' HG22 ' A' ' 40' ' ' VAL . 31.4 t80 -63.57 -58.23 7.62 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.122 0.487 . . . . 0.92000000000000004 110.005 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -52.88 -43.97 66.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.312 0.577 . . . . 1.8 110.951 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.583 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 8.9 mm-40 -63.55 -24.92 68.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.782 -0.644 . . . . 1.27 111.703 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.587 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -62.9 -37.56 87.43 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.826 0.346 . . . . 0.19 110.287 174.815 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 34.4 mtm180 -59.92 -36.63 77.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.734 -0.666 . . . . 3.0699999999999998 109.499 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -74.37 -37.57 63.43 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.048 -0.524 . . . . 0.96999999999999997 110.773 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.457 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.4 t-160 -49.71 -39.3 36.51 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.692 -0.231 . . . . 0.19 110.545 172.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.483 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 8.9 m120 -56.21 -51.63 67.37 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.531 0.519 . . . . 2.04 110.183 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.94 -61.3 2.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.171 -0.922 . . . . 1.0600000000000001 112.227 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.402 ' HB3' ' CZ2' ' A' ' 65' ' ' TRP . 22.2 t -58.35 -36.51 73.54 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.998 0.74 . . . . 0.34000000000000002 112.998 -171.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -91.25 -4.72 55.7 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.595 -0.442 . . . . 1.3899999999999999 111.764 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 55.51 52.52 11.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.147 -0.933 . . . . 1.8700000000000001 111.045 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.483 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -134.93 -173.14 3.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.454 -0.794 . . . . 1.0700000000000001 109.311 -176.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.07 105.74 4.69 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.475 HD23 HD12 ' A' ' 36' ' ' LEU . 2.1 pt? -138.8 158.29 44.49 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.535 -0.757 . . . . 1.1599999999999999 110.179 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.9 m -93.66 173.64 7.58 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.94 -1.027 . . . . 0.83999999999999997 108.917 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.732 HG22 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.06 -44.23 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 C-N-CA 120.028 -0.669 . . . . 1.0800000000000001 111.013 -169.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.687 ' OE2' ' HA2' ' A' ' 14' ' ' GLY . 16.5 mt-10 -47.63 -49.54 26.89 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.563 0.54 . . . . 0.81999999999999995 110.463 177.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.465 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 39.6 m-20 -57.77 -40.09 79.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.987 -0.551 . . . . 0.66000000000000003 111.063 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.587 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 12.7 t80 -62.06 -53.63 52.71 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.395 0.617 . . . . 0.32000000000000001 109.539 175.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.649 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 2.7 mt -57.0 -29.81 63.62 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 114.477 -1.238 . . . . 1.0600000000000001 109.937 -175.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.621 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 94.7 mtp -62.64 -57.18 11.98 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.477 0.486 . . . . 1.9099999999999999 110.062 173.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 23.3 mt -52.12 -54.67 27.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.327 -0.851 . . . . 1.0600000000000001 111.746 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.503 ' HG3' ' H ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -63.2 -45.75 90.26 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.769 -0.372 . . . . 2.6899999999999999 110.637 -179.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.901 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -45.33 -62.39 1.29 Allowed 'General case' 0 C--O 1.216 -0.672 0 O-C-N 123.587 0.554 . . . . 0.64000000000000001 111.299 174.341 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HB3' ' HB2' ' A' ' 54' ' ' ALA . 4.2 mtt180 -53.88 -49.68 67.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.625 -0.43 . . . . 0.92000000000000004 110.743 -172.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.89 -54.75 43.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.781 -0.645 . . . . 1.1899999999999999 111.038 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.54 -36.68 69.52 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.054 0.761 . . . . 1.25 113.054 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.901 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.2 mt -88.64 -65.2 1.04 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.574 -0.285 . . . . 1.0900000000000001 110.51 -173.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.44 17.63 0.02 OUTLIER Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.189 -1.005 . . . . 0.55000000000000004 113.537 171.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -99.72 135.16 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.133 0.492 . . . . 1.0800000000000001 111.074 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.37 52.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.438 0.637 . . . . 1.9299999999999999 111.142 -176.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.98 129.44 38.12 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.193 -0.912 . . . . 0.93000000000000005 109.388 170.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.475 ' O ' HG22 ' A' ' 60' ' ' VAL . 3.6 p-10 -40.93 -43.77 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 115.434 1.642 . . . . 0.71999999999999997 115.434 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.76 -38.61 88.63 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.067 0.849 . . . . 2.3100000000000001 109.804 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.33 -34.0 67.74 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.161 -1.381 . . . . 1.03 111.746 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 57' ' ' ASN . 3.3 m -78.3 -35.84 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 119.558 -0.857 . . . . 1.0700000000000001 110.389 -177.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -72.06 -21.07 61.57 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.212 0.529 . . . . 2.3399999999999999 110.295 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -70.55 -55.67 8.34 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.63 -0.878 . . . . 0.20999999999999999 108.63 168.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HD3' ' N ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -48.66 -61.75 1.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.122 -0.945 . . . . 1.8899999999999999 111.464 177.32 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.451 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 43.0 p -43.55 -56.66 3.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.842 0.714 . . . . 1.77 112.353 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.466 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 10.1 t90 -64.9 -51.73 60.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.411 -0.359 . . . . 0.28000000000000003 111.672 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.583 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 11.2 t-105 -69.27 -24.46 63.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.593 -0.276 . . . . 0.46000000000000002 111.147 -171.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -96.21 2.96 53.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.258 0.552 . . . . 0.51000000000000001 111.119 -175.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.3 m -93.38 -18.91 21.85 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.891 0.853 . . . . 1.4299999999999999 109.241 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.73 -67.46 1.0 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.657 -1.156 . . . . 2.2200000000000002 111.039 -175.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 72' ' ' MET . 26.0 m -93.13 -58.64 2.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.602 -1.181 . . . . 1.0900000000000001 111.796 -174.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.59 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.9 mtpt 73.72 22.94 2.44 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 114.563 -1.199 . . . . 1.74 109.661 -172.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.59 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 42.86 -167.5 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 113.857 -1.519 . . . . 1.71 115.096 172.801 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.403 ' H ' ' HB2' ' A' ' 72' ' ' MET . . . -130.45 23.06 5.13 Favored 'General case' 0 CA--C 1.494 -1.174 0 CA-C-N 113.788 -1.551 . . . . 1.26 109.075 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 49.96 -80.49 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.114 -1.857 . . . . 2.3700000000000001 110.732 -172.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -148.79 23.83 0.97 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.619 -0.512 . . . . 2.3799999999999999 109.619 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.227 -0.892 . . . . 2.1699999999999999 110.469 -178.641 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 111.895 -0.482 . . . . 1.8799999999999999 111.895 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.539 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -145.2 -147.76 0.22 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 109.625 -0.509 . . . . 1.21 109.625 179.719 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.541 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.0 m-85 -140.27 -165.31 1.88 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.003 -0.544 . . . . 1.02 109.899 -176.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 9.6 ttp180 -158.52 139.85 13.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.575 -0.739 . . . . 2.3700000000000001 110.155 169.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.17 -30.97 2.92 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.94 -0.648 . . . . 1.3899999999999999 113.889 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.541 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -78.55 47.5 0.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.341 0.497 . . . . 2.3700000000000001 112.341 -176.174 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.73 29.09 74.31 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.319 -0.943 . . . . 1.05 110.913 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.502 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -49.51 129.0 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 N-CA-C 113.39 0.885 . . . . 1.0800000000000001 113.39 -175.718 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.1 -15.66 15.02 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.076 -1.42 . . . . 1.1399999999999999 108.875 174.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.738 HD11 ' N ' ' A' ' 20' ' ' THR . 3.4 tm? 61.65 170.12 0.11 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.005 -0.998 . . . . 1.8100000000000001 109.283 175.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.738 ' N ' HD11 ' A' ' 19' ' ' LEU . 9.0 t -58.47 162.38 3.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 120.938 -1.101 . . . . 1.22 110.002 172.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -63.72 -53.56 49.22 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.066 0.395 . . . . 2.1499999999999999 112.066 -167.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.465 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.7 m-20 -64.15 -64.14 0.96 Allowed 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.465 -0.334 . . . . 2.0499999999999998 111.455 -175.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.541 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -44.29 -41.07 5.69 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.438 0.903 . . . . 2.0099999999999998 113.438 -176.242 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.692 ' CE2' HG21 ' A' ' 40' ' ' VAL . 45.7 t80 -67.34 -49.82 62.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.412 0.625 . . . . 0.92000000000000004 110.276 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -58.09 -42.99 86.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.365 -0.834 . . . . 1.8 109.661 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.598 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.8 mm-40 -70.64 -21.73 62.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.099 -0.955 . . . . 1.27 111.301 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.594 ' CD2' HG22 ' A' ' 40' ' ' VAL . 2.3 t90 -63.12 -38.11 89.89 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.195 0.521 . . . . 0.19 109.835 173.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -60.95 -36.95 80.71 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.292 -0.867 . . . . 3.0699999999999998 109.567 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -74.1 -37.08 64.26 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.02 -0.537 . . . . 0.96999999999999997 110.737 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.5 t-160 -52.66 -40.94 63.34 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.402 -0.363 . . . . 0.19 110.117 173.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.609 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 8.9 t30 -54.78 -50.7 67.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.761 -0.654 . . . . 2.04 110.383 175.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.56 -59.79 3.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.387 -0.824 . . . . 1.0600000000000001 112.077 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.1 t -62.12 -28.56 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.841 0.682 . . . . 0.34000000000000002 112.841 -171.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -101.11 1.88 39.71 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.92 -0.488 . . . . 1.3899999999999999 111.561 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 57.93 27.19 14.32 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.204 0.602 . . . . 1.8700000000000001 111.591 172.417 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.609 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -106.12 -171.69 1.95 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.693 -0.685 . . . . 1.0700000000000001 109.542 178.177 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 19.8 t70 -140.63 53.14 1.61 Allowed 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.09 149.37 25.6 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.34 -1.3 . . . . 1.1599999999999999 110.272 -172.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -88.68 169.99 11.19 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.252 -0.647 . . . . 0.83999999999999997 109.252 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.692 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.17 -41.46 92.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 120.579 -0.448 . . . . 1.0800000000000001 110.969 -170.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 45' ' ' MET . 46.1 mt-10 -47.08 -54.84 9.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.739 0.65 . . . . 0.81999999999999995 111.225 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.606 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 1.6 m-20 -54.25 -43.49 70.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.37 -0.377 . . . . 0.66000000000000003 111.855 176.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.482 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 13.3 t80 -59.16 -52.84 63.97 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.274 0.559 . . . . 0.32000000000000001 109.698 177.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 2.7 mt -54.64 -34.99 63.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.504 -1.226 . . . . 1.0600000000000001 109.744 -177.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.591 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 79.5 mtp -64.35 -57.47 9.27 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.325 0.391 . . . . 1.9099999999999999 110.608 173.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 21.7 mt -46.88 -54.62 9.57 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.729 -0.669 . . . . 1.0600000000000001 111.752 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.477 ' HD3' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.85 -42.7 90.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.178 -0.465 . . . . 2.6899999999999999 110.341 -178.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.901 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.4 m170 -48.3 -65.23 0.6 Allowed 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.402 -0.817 . . . . 0.64000000000000001 110.655 173.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 45' ' ' MET . 4.5 mtt180 -57.2 -47.9 80.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.36 0.6 . . . . 0.92000000000000004 110.042 -173.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.26 -57.58 9.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.212 -1.358 . . . . 1.1899999999999999 112.187 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.06 -31.09 55.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 112.956 0.725 . . . . 1.25 112.956 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.901 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 22.7 mt -76.3 -74.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.135 -0.626 . . . . 1.0900000000000001 110.087 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.97 35.71 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.325 -0.941 . . . . 0.55000000000000004 112.825 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -119.69 138.92 52.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.464 -0.569 . . . . 1.0800000000000001 109.464 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -124.6 49.99 1.76 Allowed 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.574 -0.451 . . . . 1.9299999999999999 111.888 -172.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -72.47 134.55 45.38 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.557 -0.905 . . . . 0.93000000000000005 108.557 170.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.42 ' O ' HG21 ' A' ' 60' ' ' VAL . 4.0 p-10 -46.2 -39.28 9.52 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 115.623 1.712 . . . . 0.71999999999999997 115.623 -168.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' C ' HD23 ' A' ' 46' ' ' LEU . 1.5 p30 -61.34 -42.75 99.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.521 1.055 . . . . 2.3100000000000001 109.416 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -67.57 -32.49 73.29 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.262 -1.336 . . . . 1.03 111.983 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 57' ' ' ASN . 1.7 m -79.03 -36.56 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 119.411 -0.915 . . . . 1.0700000000000001 110.133 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -71.67 -20.65 61.91 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.224 0.535 . . . . 2.3399999999999999 109.941 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.476 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 88.6 t80 -71.69 -57.37 4.43 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.554 -0.906 . . . . 0.20999999999999999 108.554 167.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.445 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.2 tmt_? -47.41 -62.23 1.53 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.127 -0.942 . . . . 1.8899999999999999 111.839 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.445 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 7.7 p -45.39 -57.04 4.35 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 123.546 0.529 . . . . 1.77 112.375 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.485 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 10.7 t90 -61.06 -51.46 69.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.62 0.248 . . . . 0.28000000000000003 111.563 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.598 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 12.0 t-105 -72.05 -26.16 62.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.308 -0.406 . . . . 0.46000000000000002 111.616 -172.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 16.8 m-80 -93.52 2.65 56.35 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.201 0.524 . . . . 0.51000000000000001 111.183 -175.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 55.3 m -93.49 -18.14 22.63 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.693 0.758 . . . . 1.4299999999999999 109.5 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.73 -67.78 0.97 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.775 -1.102 . . . . 2.2200000000000002 110.684 -174.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 m -92.11 -58.74 2.3 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.535 -1.211 . . . . 1.0900000000000001 112.007 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.614 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.0 mtpt 74.72 21.94 2.07 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 114.444 -1.253 . . . . 1.74 110.166 -172.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.614 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 42.52 -164.14 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 O-C-N 124.945 1.403 . . . . 1.71 114.395 172.792 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' A' ' 72' ' ' MET . . . -151.3 33.24 0.58 Allowed 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 114.724 -1.125 . . . . 1.26 110.166 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 43.66 -89.93 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.451 -1.25 . . . . 2.3700000000000001 111.393 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -138.28 31.21 2.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.092 -0.336 . . . . 2.3799999999999999 110.092 175.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.471 -0.776 . . . . 2.1699999999999999 110.508 -178.626 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.844 -0.503 . . . . 1.8799999999999999 111.844 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.539 HG22 ' HA ' ' A' ' 19' ' ' LEU . 4.5 m -104.18 61.83 0.73 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.696 0.628 . . . . 1.21 112.696 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.577 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 0.9 OUTLIER 50.72 -165.6 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.082 0.771 . . . . 1.02 113.082 169.587 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -171.5 136.62 1.0 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.35 -0.841 . . . . 2.3700000000000001 109.806 168.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.82 -28.11 2.87 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.871 -0.68 . . . . 1.3899999999999999 113.907 174.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.598 ' HD3' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -80.67 51.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.328 0.585 . . . . 2.3700000000000001 111.791 -177.502 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.94 28.23 73.21 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.302 -0.952 . . . . 1.05 111.117 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 1.2 m -56.05 129.83 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.876 0 CA-C-O 122.356 1.074 . . . . 1.0800000000000001 113.345 -174.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.02 -9.49 15.08 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 113.164 -1.834 . . . . 1.1399999999999999 108.327 172.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.785 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.01 172.09 0.13 Allowed 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.819 -1.082 . . . . 1.8100000000000001 109.088 175.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.603 ' N ' HD13 ' A' ' 19' ' ' LEU . 8.1 t -61.08 169.29 2.08 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.041 -1.037 . . . . 1.22 109.866 172.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.58 -55.88 20.27 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 113.293 0.849 . . . . 2.1499999999999999 113.293 -165.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.6 -56.47 4.79 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.097 -0.241 . . . . 2.0499999999999998 111.639 -171.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.785 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 32.6 mm-40 -45.92 -38.97 8.14 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.934 1.087 . . . . 2.0099999999999998 113.934 -176.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.749 ' CE2' HG23 ' A' ' 40' ' ' VAL . 40.6 t80 -64.22 -57.64 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.116 0.484 . . . . 0.92000000000000004 110.175 -178.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.94 -41.74 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.816 -0.629 . . . . 1.8 110.741 171.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.584 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 7.0 mm-40 -72.24 -18.51 61.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.752 -0.658 . . . . 1.27 112.229 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.658 ' CD2' HG21 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -65.28 -35.44 81.04 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.648 -0.501 . . . . 0.19 109.648 172.34 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 47.6 mtm180 -65.15 -31.67 72.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.575 -0.739 . . . . 3.0699999999999998 109.473 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -77.21 -35.44 55.62 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.676 -0.41 . . . . 0.96999999999999997 110.685 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -53.12 -40.08 63.93 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.617 -0.512 . . . . 0.19 109.617 172.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.679 ' ND2' ' HA ' ' A' ' 37' ' ' ASP . 24.2 t-20 -51.61 -53.13 41.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.524 -0.762 . . . . 2.04 109.997 172.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.11 -60.72 2.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.033 -0.985 . . . . 1.0600000000000001 112.345 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.0 t -60.5 -32.33 71.34 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.68 0.622 . . . . 0.34000000000000002 112.68 -170.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -96.42 -0.33 49.38 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.668 -0.413 . . . . 1.3899999999999999 111.69 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 61.51 21.86 12.41 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.047 -0.524 . . . . 1.8700000000000001 111.668 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -102.48 -168.46 1.53 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.145 -0.687 . . . . 1.0700000000000001 109.145 176.466 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.679 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 24.3 t70 -148.06 47.44 1.07 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.025 -1.102 . . . . 1.0 108.025 177.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.49 152.8 42.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.6 -1.636 . . . . 1.1599999999999999 110.787 -175.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 m -86.18 168.53 13.9 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.806 -0.442 . . . . 0.83999999999999997 109.806 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.749 HG23 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.04 -45.03 97.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.604 -0.438 . . . . 1.0800000000000001 111.372 -172.341 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' ' 45' ' ' MET . 40.1 mt-10 -48.62 -49.97 34.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.678 0.611 . . . . 0.81999999999999995 110.382 -179.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.612 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 19.2 m-20 -54.28 -44.91 72.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.551 . . . . 0.66000000000000003 111.524 176.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.46 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 18.0 t80 -60.2 -52.96 63.08 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.318 0.58 . . . . 0.32000000000000001 109.665 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.666 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 2.6 mt -56.19 -33.76 65.59 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.517 -1.219 . . . . 1.0600000000000001 109.8 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.581 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 92.6 mtp -65.35 -57.57 8.05 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.389 0.431 . . . . 1.9099999999999999 110.841 173.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 21.8 mt -47.1 -51.02 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 1.0600000000000001 111.473 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.883 ' NH2' ' HA ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -72.06 -40.19 68.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.997 -0.547 . . . . 2.6899999999999999 110.675 -179.175 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.866 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -46.77 -63.48 1.01 Allowed 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 123.288 0.635 . . . . 0.64000000000000001 110.774 173.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 45' ' ' MET . 7.0 mtt180 -55.38 -51.03 68.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.069 0.462 . . . . 0.92000000000000004 110.619 -173.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.45 -53.4 54.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.811 -1.086 . . . . 1.1899999999999999 111.2 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.612 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . . . -63.22 -41.37 99.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.121 0.786 . . . . 1.25 113.121 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.866 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -83.63 -70.65 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.996 -0.282 . . . . 1.0900000000000001 110.46 -172.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.85 33.73 0.02 OUTLIER Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.238 -0.982 . . . . 0.55000000000000004 113.24 174.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -114.16 139.76 49.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.478 -0.425 . . . . 1.0800000000000001 110.185 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -119.7 46.7 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.305 0.483 . . . . 1.9299999999999999 112.305 -171.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' O ' HG12 ' A' ' 60' ' ' VAL . 12.6 t70 -75.27 134.28 41.13 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.539 -0.541 . . . . 0.93000000000000005 109.539 171.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.432 ' O ' HG23 ' A' ' 60' ' ' VAL . 3.4 p-10 -43.26 -42.94 4.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 115.819 1.785 . . . . 0.71999999999999997 115.819 -170.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.445 ' C ' HD21 ' A' ' 46' ' ' LEU . 9.4 p30 -63.15 -37.9 89.04 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.554 -0.858 . . . . 2.3100000000000001 109.57 -176.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.03 -35.33 74.24 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.067 -1.424 . . . . 1.03 111.981 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 57' ' ' ASN . 2.2 m -76.96 -35.94 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 119.681 -0.808 . . . . 1.0700000000000001 110.206 -176.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -74.27 -20.08 60.27 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.252 0.548 . . . . 2.3399999999999999 110.375 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.47 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 78.2 t80 -70.82 -52.87 17.72 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.691 -0.855 . . . . 0.20999999999999999 108.691 168.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.35 -60.79 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.273 -0.876 . . . . 1.8899999999999999 111.218 177.352 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.2 p -46.89 -44.67 19.85 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.679 0.622 . . . . 1.77 112.679 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.488 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 22.1 t90 -73.15 -54.92 7.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.602 0.239 . . . . 0.28000000000000003 111.434 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.584 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 10.8 t-105 -70.04 -25.64 63.65 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 122.897 0.479 . . . . 0.46000000000000002 111.471 -170.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.485 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 26.1 m-80 -94.53 0.3 55.16 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.061 0.458 . . . . 0.51000000000000001 111.807 -174.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.3 m -92.44 -16.16 26.24 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.949 0.881 . . . . 1.4299999999999999 109.306 174.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -65.83 1.15 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.211 -1.359 . . . . 2.2200000000000002 110.669 -175.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.9 m -94.94 -61.07 1.55 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.761 -1.109 . . . . 1.0900000000000001 112.214 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.521 ' C ' ' HG3' ' A' ' 72' ' ' MET . 34.6 mtpt 77.68 29.0 0.53 Allowed 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 114.265 -1.334 . . . . 1.74 109.787 -172.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.577 ' HB3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER 49.46 -167.17 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 113.626 -1.624 . . . . 1.71 115.117 173.482 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.22 53.81 0.56 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 111.578 -2.555 . . . . 1.26 107.567 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.883 ' HA ' ' NH2' ' A' ' 47' ' ' ARG . 3.8 m-20 -4.96 -77.17 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 O-C-N 125.731 1.895 . . . . 2.3700000000000001 114.422 -172.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.02 32.32 3.2 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.896 -0.409 . . . . 2.3799999999999999 109.896 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.699 -0.667 . . . . 2.1699999999999999 110.735 -178.73 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 111.696 -0.561 . . . . 1.8799999999999999 111.696 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.557 HG22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -136.36 -143.81 0.19 Allowed 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.262 -0.644 . . . . 1.21 109.262 -179.586 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.621 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.2 m-85 -138.41 -169.97 2.71 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.702 -0.481 . . . . 1.02 109.702 -178.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.489 ' CD ' ' HB3' ' A' ' 41' ' ' GLU . 12.8 ttt180 -151.44 146.4 25.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 2.3700000000000001 109.722 164.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 80.28 -31.78 2.34 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.147 -0.549 . . . . 1.3899999999999999 114.254 173.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.621 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -79.23 47.24 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.31 0.485 . . . . 2.3700000000000001 112.31 -175.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.31 29.74 75.44 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.355 -0.926 . . . . 1.05 110.903 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -50.16 127.24 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 N-CA-C 113.633 0.975 . . . . 1.0800000000000001 113.633 -174.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.53 -14.59 15.24 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 113.643 -1.617 . . . . 1.1399999999999999 108.748 174.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.758 ' CD1' ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.72 176.14 0.14 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.01 -0.996 . . . . 1.8100000000000001 108.923 175.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.673 ' N ' HD13 ' A' ' 19' ' ' LEU . 13.3 t -62.43 174.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 120.969 -1.082 . . . . 1.22 109.883 171.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.5 -57.16 7.91 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.527 0.566 . . . . 2.1499999999999999 112.527 -168.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.43 -63.42 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.881 0.326 . . . . 2.0499999999999998 111.881 -174.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.758 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 14.8 mm-40 -46.24 -36.63 6.31 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.325 1.231 . . . . 2.0099999999999998 114.325 -171.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.76 ' CE2' HG21 ' A' ' 40' ' ' VAL . 25.1 t80 -64.55 -53.56 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.795 0.807 . . . . 0.92000000000000004 109.274 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -59.13 -39.09 81.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.845 -1.07 . . . . 1.8 110.559 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.535 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 12.1 mm-40 -71.17 -19.08 62.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.502 -0.772 . . . . 1.27 111.519 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CD2' HG22 ' A' ' 40' ' ' VAL . 1.1 t90 -66.2 -36.62 83.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.741 -0.466 . . . . 0.19 109.741 172.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.76 -40.64 80.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.474 -0.785 . . . . 3.0699999999999998 109.423 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.24 -41.11 70.57 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.984 -0.553 . . . . 0.96999999999999997 110.767 174.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -50.09 -42.02 49.38 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.483 -0.326 . . . . 0.19 110.297 174.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.642 ' OD1' ' HA ' ' A' ' 37' ' ' ASP . 9.5 t30 -55.75 -47.83 76.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.557 -0.747 . . . . 2.04 110.547 176.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.49 -59.67 3.19 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.225 -0.898 . . . . 1.0600000000000001 111.824 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.5 t -60.49 -35.41 75.84 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.243 0.831 . . . . 0.34000000000000002 113.243 -171.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.509 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 25.3 mmm180 -94.0 3.98 54.57 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.418 -0.513 . . . . 1.3899999999999999 111.717 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 56.75 30.78 18.26 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.813 -0.63 . . . . 1.8700000000000001 111.728 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.581 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -110.53 -168.48 1.32 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.644 -0.707 . . . . 1.0700000000000001 109.454 176.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.642 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 14.5 t70 -145.74 59.0 1.25 Allowed 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.868 -1.16 . . . . 1.0 107.868 177.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.96 150.39 23.48 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.297 -1.32 . . . . 1.1599999999999999 110.035 -173.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.9 m -86.34 168.66 13.65 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.863 -0.335 . . . . 0.83999999999999997 110.129 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.76 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.34 -44.45 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 C-N-CA 120.963 -0.295 . . . . 1.0800000000000001 110.944 -173.308 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.489 ' HB3' ' CD ' ' A' ' 13' ' ' ARG . 48.1 mt-10 -46.93 -53.11 12.98 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 123.888 0.742 . . . . 0.81999999999999995 110.83 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.545 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 5.1 m-20 -52.75 -47.29 67.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.596 -0.729 . . . . 0.66000000000000003 111.379 176.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 13.0 t80 -58.25 -54.36 47.88 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.209 0.528 . . . . 0.32000000000000001 109.974 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 3.1 mt -53.16 -35.57 59.91 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 114.534 -1.212 . . . . 1.0600000000000001 109.96 -176.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.557 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 68.6 mtm -68.22 -52.89 29.09 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.422 0.451 . . . . 1.9099999999999999 110.75 175.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 29.3 mt -48.41 -54.2 14.9 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.301 -0.409 . . . . 1.0600000000000001 111.503 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.48 HH11 HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -66.01 -43.13 88.59 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 116.224 -0.444 . . . . 2.6899999999999999 110.462 -179.455 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.835 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.4 m170 -45.3 -62.7 1.16 Allowed 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.757 -0.656 . . . . 0.64000000000000001 111.191 173.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 45' ' ' MET . 2.3 mtt180 -58.86 -45.98 88.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.161 0.505 . . . . 0.92000000000000004 110.888 -174.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.28 -56.84 16.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.05 -0.977 . . . . 1.1899999999999999 111.044 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.491 ' HB1' ' ND2' ' A' ' 74' ' ' ASN . . . -59.29 -49.16 78.91 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.51 0.559 . . . . 1.25 112.51 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.835 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.3 mt -77.83 -71.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.053 -0.259 . . . . 1.0900000000000001 110.508 -171.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.5 46.65 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.049 -1.072 . . . . 0.55000000000000004 113.283 174.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 49' ' ' ARG . . . -124.14 141.17 52.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.733 -0.469 . . . . 1.0800000000000001 109.733 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -116.78 43.34 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.516 0.562 . . . . 1.9299999999999999 112.516 -171.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -66.58 127.46 32.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.976 -0.75 . . . . 0.93000000000000005 108.976 169.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.558 ' O ' HG22 ' A' ' 60' ' ' VAL . 4.4 p-10 -47.62 -34.89 8.51 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 115.412 1.634 . . . . 0.71999999999999997 115.412 -170.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.4 ' C ' HD21 ' A' ' 46' ' ' LEU . 2.6 m-20 -63.69 -41.56 98.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 119.146 0.884 . . . . 2.3100000000000001 108.93 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.03 75.71 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.996 -1.456 . . . . 1.03 111.99 176.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 57' ' ' ASN . 3.1 m -75.48 -36.46 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 119.642 -0.823 . . . . 1.0700000000000001 110.14 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -72.67 -23.46 60.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 116.08 -0.509 . . . . 2.3399999999999999 110.608 175.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -67.6 -55.4 13.53 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.421 -0.955 . . . . 0.20999999999999999 108.421 169.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.65 -60.99 2.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.838 -1.074 . . . . 1.8899999999999999 111.851 177.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.6 p -45.92 -47.4 16.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.75 0.648 . . . . 1.77 112.75 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.588 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.6 t90 -73.19 -50.2 23.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.457 -0.338 . . . . 0.28000000000000003 111.556 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.535 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 11.3 t-105 -73.61 -25.82 60.5 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.589 0.356 . . . . 0.46000000000000002 111.588 -172.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 20.2 m-80 -92.12 -1.79 56.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.921 0.391 . . . . 0.51000000000000001 111.566 -176.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -94.54 -15.55 24.03 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 121.62 0.724 . . . . 1.4299999999999999 109.265 174.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.1 ptp180 -114.25 -59.93 1.95 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.081 -0.963 . . . . 2.2200000000000002 111.158 -174.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.487 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 10.7 m -105.04 -59.26 1.77 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.557 -1.201 . . . . 1.0900000000000001 112.019 -172.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.534 ' C ' ' HG3' ' A' ' 72' ' ' MET . 49.2 mtpt 75.72 26.4 1.08 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 114.519 -1.219 . . . . 1.74 109.642 -173.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.534 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 49.07 -167.7 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 113.418 -1.719 . . . . 1.71 115.057 172.823 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.02 46.19 1.25 Allowed 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 111.189 -2.732 . . . . 1.26 106.997 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.491 ' ND2' ' HB1' ' A' ' 51' ' ' ALA . 2.6 m-20 6.73 -85.34 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 126.163 2.164 . . . . 2.3700000000000001 113.267 -171.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -136.97 34.94 2.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.312 -0.625 . . . . 2.3799999999999999 109.312 173.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.507 -0.758 . . . . 2.1699999999999999 110.963 -176.596 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.461 -0.656 . . . . 1.8799999999999999 111.461 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 19' ' ' LEU . 3.7 m -80.24 58.01 2.92 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.883 0.697 . . . . 1.21 112.883 -175.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.584 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 0.9 OUTLIER 51.32 -170.95 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.504 1.298 . . . . 1.02 114.504 165.624 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.492 ' HG2' ' N ' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -167.76 141.89 3.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.088 -1.414 . . . . 2.3700000000000001 109.329 163.507 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.492 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 79.81 -28.7 2.45 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 120.973 -0.632 . . . . 1.3899999999999999 114.055 173.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.584 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -77.89 47.14 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.143 0.497 . . . . 2.3700000000000001 111.944 -177.368 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.44 31.63 77.25 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.694 -0.963 . . . . 1.05 110.694 -175.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.575 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -53.1 128.91 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 CA-C-O 122.176 0.988 . . . . 1.0800000000000001 113.104 -176.806 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.89 -11.27 14.69 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 113.342 -1.753 . . . . 1.1399999999999999 108.672 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.766 HD13 ' N ' ' A' ' 20' ' ' THR . 3.5 tm? 61.29 171.34 0.11 Allowed 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.736 -1.12 . . . . 1.8100000000000001 109.143 175.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.766 ' N ' HD13 ' A' ' 19' ' ' LEU . 9.0 t -64.05 178.29 0.68 Allowed 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.762 -1.211 . . . . 1.22 110.386 172.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.51 -57.3 7.61 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.95 0.722 . . . . 2.1499999999999999 112.95 -168.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.58 -60.18 2.41 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 111.81 0.3 . . . . 2.0499999999999998 111.81 -171.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.503 ' CB ' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -45.61 -39.58 7.87 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.208 1.188 . . . . 2.0099999999999998 114.208 -175.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.745 ' CE2' HG22 ' A' ' 40' ' ' VAL . 35.7 t80 -66.89 -56.06 11.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.356 0.526 . . . . 0.92000000000000004 110.203 -177.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -52.74 -38.92 61.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.603 0.716 . . . . 1.8 110.888 171.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.641 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 10.1 mm-40 -74.97 -20.82 59.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.838 -0.619 . . . . 1.27 111.938 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.64 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.72 -35.68 81.84 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.488 -0.56 . . . . 0.19 109.488 173.437 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 17.6 mtm180 -60.84 -40.41 92.76 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.328 -0.851 . . . . 3.0699999999999998 108.73 176.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.37 -37.29 74.55 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.185 -0.461 . . . . 0.96999999999999997 110.906 174.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -51.24 -41.15 60.14 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.286 -0.265 . . . . 0.19 110.286 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.53 ' HA ' HD12 ' A' ' 36' ' ' LEU . 30.8 m-80 -55.5 -50.17 70.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.164 0.507 . . . . 2.04 110.299 175.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.88 -60.57 2.91 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.394 -0.821 . . . . 1.0600000000000001 111.903 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -61.22 -37.86 84.56 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.88 0.696 . . . . 0.34000000000000002 112.88 -171.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -93.26 0.5 57.05 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.39 -0.524 . . . . 1.3899999999999999 111.614 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 59.79 27.96 17.35 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.373 0.606 . . . . 1.8700000000000001 111.926 171.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -108.09 -170.45 1.69 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.455 -0.793 . . . . 1.0700000000000001 109.649 176.184 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -141.64 49.15 1.61 Allowed 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 107.919 -1.141 . . . . 1.0 107.919 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.17 149.62 30.45 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 113.976 -1.465 . . . . 1.1599999999999999 110.513 -173.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 m -84.89 168.57 14.92 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.333 -0.618 . . . . 0.83999999999999997 109.333 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.745 HG22 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.48 -44.33 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 C-N-CA 120.589 -0.444 . . . . 1.0800000000000001 110.515 -175.154 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.49 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 44.9 mt-10 -49.06 -49.71 40.1 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 123.644 0.59 . . . . 0.81999999999999995 110.8 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.54 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 39.2 m-20 -54.55 -44.83 73.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.49 . . . . 0.66000000000000003 110.982 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 4.3 t80 -60.12 -54.25 48.11 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.192 0.52 . . . . 0.32000000000000001 109.699 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 3.1 mt -55.1 -30.8 60.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.618 -1.174 . . . . 1.0600000000000001 110.214 -175.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.539 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 73.3 mtm -71.4 -56.64 5.57 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.643 0.589 . . . . 1.9099999999999999 111.713 173.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 22.8 mt -48.56 -52.5 22.44 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.438 0.637 . . . . 1.0600000000000001 110.398 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.488 HH22 ' HA ' ' A' ' 75' ' ' ASP . 9.3 ttt180 -56.34 -56.84 16.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.709 -1.132 . . . . 2.6899999999999999 110.594 175.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.844 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.06 -62.34 0.65 Allowed 'General case' 0 C--O 1.212 -0.876 0 O-C-N 124.349 1.031 . . . . 0.64000000000000001 111.954 175.684 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 45' ' ' MET . 24.4 mtt-85 -59.83 -39.86 86.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.971 0.415 . . . . 0.92000000000000004 110.973 -172.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.45 -53.76 50.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.525 -0.761 . . . . 1.1899999999999999 110.866 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.462 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . . . -57.74 -49.31 77.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.044 0.757 . . . . 1.25 113.044 176.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.844 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 11.6 mt -80.23 -70.23 0.54 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.493 -0.321 . . . . 1.0900000000000001 110.741 -170.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.7 35.87 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 119.817 -1.182 . . . . 0.55000000000000004 113.755 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -115.66 144.67 43.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.293 0.547 . . . . 1.0800000000000001 110.247 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -118.91 47.9 1.57 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.245 -0.434 . . . . 1.9299999999999999 112.162 -173.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.49 126.46 29.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.813 -0.81 . . . . 0.93000000000000005 108.813 167.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.616 ' O ' HG23 ' A' ' 60' ' ' VAL . 4.5 p-10 -41.03 -45.03 2.55 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 115.264 1.579 . . . . 0.71999999999999997 115.264 -172.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.465 ' C ' HD22 ' A' ' 46' ' ' LEU . 17.0 m-20 -64.24 -34.84 79.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 119.267 0.94 . . . . 2.3100000000000001 109.869 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 49' ' ' ARG . . . -69.11 -35.81 76.84 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.483 -1.235 . . . . 1.03 111.324 174.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 57' ' ' ASN . 2.7 m -74.38 -36.45 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 119.947 -0.701 . . . . 1.0700000000000001 109.997 -177.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -67.27 -36.15 80.98 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.997 -0.547 . . . . 2.3399999999999999 110.17 175.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.465 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 74.7 t80 -60.78 -54.75 41.37 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.958 -0.756 . . . . 0.20999999999999999 108.958 173.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.498 ' HA ' HD21 ' A' ' 67' ' ' ASN . 0.6 OUTLIER -51.01 -60.29 3.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.25 -0.886 . . . . 1.8899999999999999 111.145 176.54 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.8 m -43.21 -43.89 4.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.875 0.695 . . . . 1.77 112.875 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.546 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.6 t90 -81.33 -48.52 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.029 0.442 . . . . 0.28000000000000003 111.704 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.641 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 40.3 t-105 -77.53 -23.34 50.18 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.149 -0.478 . . . . 0.46000000000000002 111.925 -171.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.498 HD21 ' HA ' ' A' ' 63' ' ' ARG . 17.9 m-80 -95.22 -0.32 53.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.119 0.485 . . . . 0.51000000000000001 111.29 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.0 m -93.32 -14.99 26.25 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.646 0.736 . . . . 1.4299999999999999 109.147 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.7 ptp180 -114.08 -61.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.015 -0.993 . . . . 2.2200000000000002 110.864 -175.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.544 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 24.2 m -100.75 -59.69 1.66 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.756 -1.111 . . . . 1.0900000000000001 111.925 -174.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.616 ' C ' ' HG3' ' A' ' 72' ' ' MET . 40.8 mtpt 76.73 17.86 1.73 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 114.302 -1.317 . . . . 1.74 110.191 -172.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.616 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 44.82 -164.5 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 113.813 -1.539 . . . . 1.71 114.979 171.144 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 76' ' ' TYR . . . -145.52 78.58 1.55 Allowed 'General case' 0 N--CA 1.431 -1.403 0 CA-C-N 114.12 -1.4 . . . . 1.26 107.553 -176.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 51' ' ' ALA . 13.8 m120 -18.85 -52.11 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 O-C-N 125.862 1.977 . . . . 2.3700000000000001 114.21 -173.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.488 ' HA ' HH22 ' A' ' 47' ' ' ARG . 4.8 p-10 -165.16 43.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.685 0.755 . . . . 2.3799999999999999 109.612 167.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.421 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 76.5 m-85 . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.077 -0.965 . . . . 2.1699999999999999 109.985 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.833 0 N-CA-C 111.805 -0.518 . . . . 1.8799999999999999 111.805 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.578 HG22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -125.96 -149.88 0.43 Allowed 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 110.006 -0.368 . . . . 1.21 110.006 -178.887 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.564 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-85 -142.06 -168.26 2.66 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.921 -0.582 . . . . 1.02 110.154 -172.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 26.2 ttp85 -160.12 146.27 15.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.623 -0.717 . . . . 2.3700000000000001 109.798 170.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.27 45.68 93.86 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.002 -0.618 . . . . 1.3899999999999999 112.907 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.564 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -153.92 40.29 0.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.572 0.701 . . . . 2.3700000000000001 110.489 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.75 27.47 70.79 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.419 -0.896 . . . . 1.05 110.927 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -56.79 128.54 17.35 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.837 0 CA-C-O 122.146 0.974 . . . . 1.0800000000000001 112.865 -177.113 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.81 -8.24 14.93 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 113.343 -1.753 . . . . 1.1399999999999999 108.424 173.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.782 HD12 ' N ' ' A' ' 20' ' ' THR . 3.4 tm? 59.95 173.46 0.09 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 114.64 -1.163 . . . . 1.8100000000000001 109.215 175.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.782 ' N ' HD12 ' A' ' 19' ' ' LEU . 15.3 t -61.33 172.95 0.98 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.78 -1.2 . . . . 1.22 109.941 172.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.71 -57.19 7.63 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.237 0.828 . . . . 2.1499999999999999 113.237 -168.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.39 -62.79 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.093 0.473 . . . . 2.0499999999999998 111.697 -174.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.533 ' HG2' HH11 ' A' ' 47' ' ' ARG . 0.5 OUTLIER -45.49 -40.93 9.03 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.768 1.396 . . . . 2.0099999999999998 114.768 -175.349 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.8 ' CE2' HG22 ' A' ' 40' ' ' VAL . 36.5 t80 -65.29 -58.14 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.663 0.665 . . . . 0.92000000000000004 110.507 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.05 -49.01 52.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.429 0.633 . . . . 1.8 111.232 172.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.549 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 42.3 mt-10 -71.15 -15.99 62.52 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.62 -0.718 . . . . 1.27 112.202 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.635 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -62.87 -38.03 89.26 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.575 -0.528 . . . . 0.19 109.575 168.686 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 68.6 mtm180 -60.98 -35.11 75.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.769 -0.65 . . . . 3.0699999999999998 109.427 177.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -74.62 -36.64 62.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.763 -0.653 . . . . 0.96999999999999997 110.508 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.7 t-160 -53.54 -40.3 65.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.19 110.196 173.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.593 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 10.9 m120 -53.26 -52.68 58.23 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.071 0.463 . . . . 2.04 110.444 173.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.2 -60.56 3.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.2 -0.909 . . . . 1.0600000000000001 112.087 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.8 t -64.96 -26.89 68.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.306 0.854 . . . . 0.34000000000000002 113.306 -169.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -99.99 1.64 42.74 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.268 -0.573 . . . . 1.3899999999999999 112.245 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 54.47 58.4 4.95 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.444 -0.798 . . . . 1.8700000000000001 110.759 177.172 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.593 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -145.26 -179.33 6.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.153 -0.931 . . . . 1.0700000000000001 108.524 -177.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -137.51 46.1 2.15 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.841 -1.17 . . . . 1.0 107.841 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.54 148.32 39.0 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 113.778 -1.555 . . . . 1.1599999999999999 110.129 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -87.98 170.84 10.78 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.473 -0.566 . . . . 0.83999999999999997 109.473 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.8 HG22 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.03 -42.78 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 120.634 -0.426 . . . . 1.0800000000000001 110.824 -172.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 45' ' ' MET . 32.1 mt-10 -48.46 -50.54 30.97 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.765 0.666 . . . . 0.81999999999999995 110.776 -178.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.485 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.9 m-20 -55.07 -46.65 75.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.66000000000000003 111.953 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.635 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 4.9 t80 -57.58 -53.39 58.72 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.42 0.629 . . . . 0.32000000000000001 109.917 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 40' ' ' VAL . 3.3 mt -52.03 -35.18 46.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.157 -1.383 . . . . 1.0600000000000001 109.961 -176.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.523 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 53.1 mtm -65.85 -57.27 8.3 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.827 0.705 . . . . 1.9099999999999999 110.819 175.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 20.2 mt -48.0 -56.02 8.67 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.724 -0.671 . . . . 1.0600000000000001 111.113 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.6 ' NE ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -61.74 -50.14 73.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.158 -0.928 . . . . 2.6899999999999999 110.94 -179.86 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.851 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 7.0 m170 -40.08 -61.0 0.94 Allowed 'General case' 0 C--O 1.216 -0.666 0 O-C-N 123.759 0.662 . . . . 0.64000000000000001 111.134 173.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 45' ' ' MET . 17.3 mtt180 -58.63 -43.25 89.65 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.911 0.386 . . . . 0.92000000000000004 110.888 -172.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.23 -55.85 28.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.658 -0.701 . . . . 1.1899999999999999 111.121 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB3' HD21 ' A' ' 74' ' ' ASN . . . -54.17 -47.91 71.48 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.085 0.554 . . . . 1.25 112.279 176.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.851 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.6 mt -80.0 -71.15 0.47 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.209 -0.45 . . . . 1.0900000000000001 110.894 -171.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.27 47.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.632 -0.794 . . . . 0.55000000000000004 112.388 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.454 ' HB1' ' HB3' ' A' ' 49' ' ' ARG . . . -129.11 146.44 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.667 -0.314 . . . . 1.0800000000000001 110.2 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -123.77 48.29 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.795 0.665 . . . . 1.9299999999999999 112.795 -171.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.16 130.43 43.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.318 -0.623 . . . . 0.93000000000000005 109.318 167.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.672 ' O ' HG21 ' A' ' 60' ' ' VAL . 4.1 p-10 -44.26 -43.51 7.35 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 115.227 1.566 . . . . 0.71999999999999997 115.227 -171.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' C ' HD21 ' A' ' 46' ' ' LEU . 34.9 m-20 -65.85 -35.32 80.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 119.343 0.974 . . . . 2.3100000000000001 109.318 -177.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.0 -34.84 78.64 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.316 -1.311 . . . . 1.03 111.327 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.672 HG21 ' O ' ' A' ' 57' ' ' ASN . 2.9 m -75.23 -39.04 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 C-N-CA 120.068 -0.653 . . . . 1.0700000000000001 110.2 -177.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -64.2 -36.99 85.86 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.995 -0.548 . . . . 2.3399999999999999 109.832 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.0 -56.45 20.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.162 -0.926 . . . . 0.20999999999999999 109.177 174.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.474 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -49.44 -61.5 2.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.132 -0.94 . . . . 1.8899999999999999 111.428 177.387 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.432 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 62.9 m -49.84 -47.86 51.37 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.841 0.682 . . . . 1.77 112.841 -177.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.491 ' CE3' ' HB2' ' A' ' 66' ' ' TRP . 7.5 t90 -68.84 -50.92 45.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.968 0.413 . . . . 0.28000000000000003 111.414 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.549 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 20.6 t-105 -73.59 -24.46 60.07 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.117 -0.492 . . . . 0.46000000000000002 112.07 -172.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 14.6 m-80 -92.26 -0.94 57.38 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 120.99 0.424 . . . . 0.51000000000000001 111.611 -175.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.6 m -94.63 -16.11 23.45 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.635 0.731 . . . . 1.4299999999999999 109.162 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 8.0 ptp180 -113.91 -63.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.953 -1.022 . . . . 2.2200000000000002 111.322 -173.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.435 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 44.6 m -100.95 -56.59 2.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.164 -0.926 . . . . 1.0900000000000001 111.596 -175.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.608 ' C ' ' HG3' ' A' ' 72' ' ' MET . 47.4 mtpt 74.41 22.61 2.12 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.226 -1.352 . . . . 1.74 110.239 -172.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.608 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 44.07 -164.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.014 -1.448 . . . . 1.71 114.824 172.568 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.406 ' H ' ' HB2' ' A' ' 72' ' ' MET . . . -147.39 54.05 1.07 Allowed 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 114.676 -1.147 . . . . 1.26 109.419 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.443 HD21 ' HB3' ' A' ' 51' ' ' ALA . 17.1 m120 14.55 -80.9 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 O-C-N 125.96 2.037 . . . . 2.3700000000000001 113.501 -178.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -147.25 39.27 0.99 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.568 0.699 . . . . 2.3799999999999999 109.768 170.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 . . . . . 0 C--O 1.248 0.985 0 CA-C-N 115.241 -0.89 . . . . 2.1699999999999999 110.564 179.787 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 111.838 -0.505 . . . . 1.8799999999999999 111.838 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -121.32 -156.44 0.68 Allowed 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.117 0.484 . . . . 1.21 110.484 -178.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.608 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.7 m-85 -142.17 -164.68 1.85 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.501 -0.772 . . . . 1.02 110.103 -170.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.519 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 25.4 ttp180 -161.06 146.62 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.46 -0.791 . . . . 2.3700000000000001 109.569 168.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 67.18 34.82 87.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.482 -0.866 . . . . 1.3899999999999999 112.695 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.608 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -145.19 37.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.189 0.518 . . . . 2.3700000000000001 110.98 179.462 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.32 28.16 71.74 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.394 -0.907 . . . . 1.05 110.87 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.421 HG22 HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -52.39 132.6 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 CA-C-O 121.922 0.868 . . . . 1.0800000000000001 112.713 -178.462 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.97 -7.06 14.57 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 113.905 -1.498 . . . . 1.1399999999999999 108.963 175.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.67 HD22 ' N ' ' A' ' 24' ' ' TYR . 64.0 tp 57.49 -172.95 0.08 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 114.76 -1.109 . . . . 1.8100000000000001 109.988 177.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.561 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -78.21 161.13 27.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.66 -0.867 . . . . 1.22 108.66 170.697 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -58.52 -57.06 14.6 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.897 0.703 . . . . 2.1499999999999999 112.897 -166.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -64.99 -57.79 7.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.613 -0.267 . . . . 2.0499999999999998 111.232 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' HB2' HG22 ' A' ' 20' ' ' THR . 5.2 mp0 -46.87 -42.9 18.2 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.925 0.713 . . . . 2.0099999999999998 112.925 -177.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.919 ' CE2' HG23 ' A' ' 40' ' ' VAL . 25.9 t80 -65.68 -53.44 41.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.311 0.577 . . . . 0.92000000000000004 110.082 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -52.08 -44.99 64.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.788 -0.642 . . . . 1.8 110.859 171.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.479 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 10.4 mm-40 -68.65 -19.83 64.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.865 -0.607 . . . . 1.27 111.836 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.593 ' CD2' HG21 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -63.73 -38.15 90.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.751 -0.463 . . . . 0.19 109.751 172.676 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -63.38 -33.54 75.77 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.434 -0.803 . . . . 3.0699999999999998 109.614 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.8 -40.57 63.29 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.265 -0.425 . . . . 0.96999999999999997 110.465 173.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.42 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 9.9 t-160 -50.44 -43.69 55.19 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.254 -0.43 . . . . 0.19 111.114 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.484 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 7.0 t30 -58.5 -45.48 88.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.17 0.509 . . . . 2.04 109.901 177.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.26 -61.04 2.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.297 -0.865 . . . . 1.0600000000000001 112.181 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -57.93 -45.47 86.52 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.644 0.609 . . . . 0.34000000000000002 112.644 -172.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 22.5 mmm180 -84.1 -3.38 58.04 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.698 -0.401 . . . . 1.3899999999999999 111.523 -176.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 58.59 32.72 22.46 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.684 -0.689 . . . . 1.8700000000000001 111.504 173.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD12 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.99 -167.15 1.16 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.88 -0.6 . . . . 1.0700000000000001 109.86 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -141.21 107.34 5.21 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.69 -0.855 . . . . 1.0 108.69 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 36' ' ' LEU . 1.8 pt? -141.79 159.1 42.91 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.537 0.684 . . . . 1.1599999999999999 111.204 -178.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -93.95 178.05 5.78 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.605 -1.179 . . . . 0.83999999999999997 108.53 172.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.919 HG23 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -69.12 -41.12 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 C-N-CA 119.825 -0.75 . . . . 1.0800000000000001 110.412 -173.583 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.519 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 25.0 mt-10 -49.28 -48.11 46.27 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.68 0.612 . . . . 0.81999999999999995 110.35 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.47 ' HA ' ' HE3' ' A' ' 45' ' ' MET . 5.4 m-20 -56.4 -43.59 79.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.463 -0.789 . . . . 0.66000000000000003 111.59 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.539 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 27.3 t80 -60.67 -51.63 68.58 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.451 0.643 . . . . 0.32000000000000001 109.78 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.64 ' CD2' HD23 ' A' ' 19' ' ' LEU . 2.0 mt -56.57 -32.31 65.06 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 114.191 -1.368 . . . . 1.0600000000000001 109.931 -173.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.616 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 69.3 mtm -65.21 -58.58 5.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.842 0.714 . . . . 1.9099999999999999 111.016 175.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.47 HD22 ' C ' ' A' ' 58' ' ' ASP . 16.1 mt -50.52 -54.0 25.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.982 -0.554 . . . . 1.0600000000000001 111.084 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -58.08 -54.39 47.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.284 -0.871 . . . . 2.6899999999999999 110.823 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.883 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -41.92 -63.07 0.79 Allowed 'General case' 0 C--O 1.216 -0.699 0 O-C-N 123.828 0.705 . . . . 0.64000000000000001 111.474 175.497 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.616 ' HG3' ' O ' ' A' ' 45' ' ' MET . 21.1 mtt-85 -57.0 -46.48 82.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.763 0.316 . . . . 0.92000000000000004 110.712 -171.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.36 -54.23 49.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.504 -0.771 . . . . 1.1899999999999999 111.066 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.08 78.81 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.679 0.622 . . . . 1.25 112.679 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.883 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 17.8 mt -82.69 -72.62 0.44 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.363 -0.381 . . . . 1.0900000000000001 110.244 -175.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.08 13.47 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.491 -0.862 . . . . 0.55000000000000004 113.013 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.433 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . . . -90.39 135.78 33.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.928 0.394 . . . . 1.0800000000000001 111.275 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -112.07 45.62 1.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.492 0.553 . . . . 1.9299999999999999 112.492 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.682 ' O ' HG12 ' A' ' 60' ' ' VAL . 9.5 t70 -61.0 158.29 13.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.104 -1.073 . . . . 0.93000000000000005 108.104 166.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.515 ' O ' HG21 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -79.4 -39.46 32.44 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 117.56 -1.656 . . . . 0.71999999999999997 111.199 -164.347 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.47 ' C ' HD22 ' A' ' 46' ' ' LEU . 9.4 m-20 -62.86 -30.27 71.38 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.826 -0.805 . . . . 2.3100000000000001 108.826 -178.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.2 -40.31 62.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.498 -1.228 . . . . 1.03 111.626 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 56' ' ' ASP . 7.7 m -73.59 -33.91 40.38 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.204 0 C-N-CA 119.992 -0.683 . . . . 1.0700000000000001 110.195 -178.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -71.58 -33.82 69.39 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.137 -0.483 . . . . 2.3399999999999999 110.121 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.402 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 76.1 t80 -60.06 -54.9 40.47 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.06 -0.719 . . . . 0.20999999999999999 109.06 171.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.65 -59.1 4.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.748 -1.115 . . . . 1.8899999999999999 110.778 175.922 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 t -40.87 -51.26 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.008 0.817 . . . . 1.77 112.156 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.519 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 7.7 t90 -76.67 -51.1 12.14 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.831 0.308 . . . . 0.28000000000000003 111.831 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.585 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 32.4 t-105 -73.8 -23.02 59.63 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.374 0.27 . . . . 0.46000000000000002 111.72 -169.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 11.4 m-80 -92.03 -3.31 55.96 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.272 0.558 . . . . 0.51000000000000001 110.685 -174.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 m -92.49 -17.09 24.98 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 121.483 0.659 . . . . 1.4299999999999999 109.846 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.48 -64.04 1.36 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.84 -1.073 . . . . 2.2200000000000002 111.212 -175.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.8 m -103.58 -57.66 2.0 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.897 -1.047 . . . . 1.0900000000000001 112.644 -172.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.556 ' C ' ' HG3' ' A' ' 72' ' ' MET . 49.1 mtpt 75.94 21.98 1.51 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 114.756 -1.111 . . . . 1.74 110.588 -176.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.585 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 40.55 -122.88 0.45 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.629 -1.169 . . . . 1.71 113.452 176.149 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASP . . . 165.61 96.37 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 105.817 -1.919 . . . . 1.26 105.817 -163.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -62.5 76.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.924 0.765 . . . . 2.3700000000000001 111.148 -173.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER 69.16 20.88 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.717 0.807 . . . . 2.3799999999999999 110.795 177.608 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.65 -0.691 . . . . 2.1699999999999999 109.763 176.288 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.866 -0.494 . . . . 1.8799999999999999 111.866 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -110.21 -151.97 0.49 Allowed 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 110.057 -0.349 . . . . 1.21 110.057 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.598 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.3 m-85 -140.81 -165.3 1.91 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.002 -0.545 . . . . 1.02 110.79 -174.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' A' ' 14' ' ' GLY . 32.3 ttp180 -168.13 158.53 10.31 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.819 -1.082 . . . . 2.3700000000000001 108.816 171.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 67.8 21.07 72.9 Favored Glycine 0 N--CA 1.454 -0.112 0 C-N-CA 120.514 -0.85 . . . . 1.3899999999999999 112.142 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.598 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -139.99 -166.57 2.12 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.921 -0.77 . . . . 2.3700000000000001 108.921 178.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.35 57.29 1.57 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.455 -0.879 . . . . 1.05 111.168 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG11 ' HG3' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -72.08 125.36 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-O 122.211 1.005 . . . . 1.0800000000000001 112.706 -178.531 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.01 -3.41 20.1 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 113.264 -1.789 . . . . 1.1399999999999999 108.145 172.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.59 HD23 ' CD2' ' A' ' 44' ' ' LEU . 52.4 tp 55.28 -99.86 0.1 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 113.912 -1.494 . . . . 1.8100000000000001 110.987 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.58 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 41.4 p -128.44 -176.04 3.7 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.459 -0.791 . . . . 1.22 109.531 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -79.56 -39.23 32.32 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 119.678 -0.809 . . . . 2.1499999999999999 109.185 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -86.97 -62.95 1.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.594 -0.73 . . . . 2.0499999999999998 112.414 -171.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HG2' ' NH1' ' A' ' 47' ' ' ARG . 30.1 mp0 -58.9 -37.47 76.68 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 112.89 0.7 . . . . 2.0099999999999998 112.89 -173.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.757 ' CE2' HG23 ' A' ' 40' ' ' VAL . 40.2 t80 -60.18 -57.35 13.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.59 -0.522 . . . . 0.92000000000000004 109.59 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -45.47 -46.24 13.54 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.301 0.572 . . . . 1.8 111.695 167.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.543 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.8 mm-40 -73.19 -18.72 61.23 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.296 0.48 . . . . 1.27 112.296 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CD2' HG21 ' A' ' 40' ' ' VAL . 1.9 t90 -62.34 -39.19 92.29 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 109.231 -0.655 . . . . 0.19 109.231 171.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 44.4 mtm180 -61.41 -37.16 82.48 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.008 -0.996 . . . . 3.0699999999999998 109.835 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.06 -33.16 63.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.318 -0.401 . . . . 0.96999999999999997 110.341 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 12.9 t-160 -56.66 -36.18 69.25 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.788 -0.449 . . . . 0.19 109.788 173.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.551 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 14.4 m120 -56.99 -50.6 72.18 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.601 0.563 . . . . 2.04 110.031 175.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.12 -60.52 2.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.218 -0.901 . . . . 1.0600000000000001 112.214 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 t -62.6 -42.32 99.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.47 0.545 . . . . 0.34000000000000002 112.47 -169.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -87.15 4.14 43.53 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.575 -0.45 . . . . 1.3899999999999999 112.102 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 54.14 55.79 7.81 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 114.975 -1.011 . . . . 1.8700000000000001 111.605 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -143.14 -178.33 5.79 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.647 -0.872 . . . . 1.0700000000000001 108.647 -177.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.406 ' HA ' HD21 ' A' ' 31' ' ' ASN . 26.8 t0 -136.58 36.54 2.68 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.781 -1.192 . . . . 1.0 107.781 -176.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.52 145.63 53.77 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 113.745 -1.57 . . . . 1.1599999999999999 110.518 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.8 m -81.83 177.45 8.87 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.007 -0.542 . . . . 0.83999999999999997 109.949 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.757 HG23 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -71.25 -44.77 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 C-N-CA 120.106 -0.637 . . . . 1.0800000000000001 110.836 -172.613 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.587 ' O ' ' HG3' ' A' ' 45' ' ' MET . 46.3 mt-10 -49.21 -46.93 46.46 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 123.404 0.44 . . . . 0.81999999999999995 110.381 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.541 ' HA ' ' HE1' ' A' ' 45' ' ' MET . 3.3 m-20 -55.17 -45.2 75.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.958 -0.564 . . . . 0.66000000000000003 111.889 176.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.516 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 13.5 t80 -58.12 -50.6 72.94 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.558 0.694 . . . . 0.32000000000000001 109.412 176.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.59 ' CD2' HD23 ' A' ' 19' ' ' LEU . 2.5 mt -60.4 -27.25 67.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.308 -1.315 . . . . 1.0600000000000001 109.842 -174.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.587 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 30.0 mtm -66.81 -59.46 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 1.9099999999999999 110.112 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 13.8 mt -52.04 -49.57 63.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.011 -0.995 . . . . 1.0600000000000001 111.216 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.568 ' CD ' HD12 ' A' ' 19' ' ' LEU . 7.1 ttt85 -60.94 -60.33 3.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.056 -0.974 . . . . 2.6899999999999999 110.933 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.898 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 9.8 m170 -42.71 -57.51 2.71 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 123.953 0.783 . . . . 0.64000000000000001 111.315 177.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 45' ' ' MET . 21.9 mtt-85 -56.89 -50.4 72.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.603 -0.439 . . . . 0.92000000000000004 110.735 -171.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.34 -53.08 62.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.53 -0.759 . . . . 1.1899999999999999 111.262 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.709 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . . . -58.27 -36.02 72.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 112.773 0.657 . . . . 1.25 112.773 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.898 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 16.4 mt -88.0 -74.45 0.45 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 121.079 -0.248 . . . . 1.0900000000000001 110.671 -174.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.87 35.9 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.867 -0.682 . . . . 0.55000000000000004 112.427 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.434 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -117.11 133.44 56.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 1.0800000000000001 110.324 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -114.24 47.71 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.239 0.542 . . . . 1.9299999999999999 111.378 -173.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.71 123.16 19.34 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.193 -1.04 . . . . 0.93000000000000005 108.193 168.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -45.54 -36.74 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.922 1.453 . . . . 0.71999999999999997 114.922 -169.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' C ' HD23 ' A' ' 46' ' ' LEU . 10.5 m-20 -64.2 -40.54 96.29 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.625 -0.88 . . . . 2.3100000000000001 108.625 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.98 81.15 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.134 -1.394 . . . . 1.03 111.634 176.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 m -76.3 -35.66 27.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.291 0 C-N-CA 119.745 -0.782 . . . . 1.0700000000000001 110.118 -176.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -72.84 -30.34 63.94 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 110.149 -0.315 . . . . 2.3399999999999999 110.149 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 82.5 t80 -59.03 -55.81 30.37 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.562 -0.903 . . . . 0.20999999999999999 108.562 168.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.572 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.1 tmt_? -49.13 -59.74 3.39 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.314 -0.857 . . . . 1.8899999999999999 111.753 174.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.572 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 13.8 t -45.44 -50.55 12.45 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 123.555 0.534 . . . . 1.77 111.994 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.471 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 9.6 t90 -72.74 -51.98 16.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.53 -0.305 . . . . 0.28000000000000003 111.506 -178.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.595 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 33.8 t-105 -71.6 -29.27 64.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.361 -0.381 . . . . 0.46000000000000002 111.655 -171.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.545 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 14.2 m-80 -85.27 -0.06 53.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.218 0.532 . . . . 0.51000000000000001 111.292 -176.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.4 m -93.04 -15.73 25.81 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.691 0.758 . . . . 1.4299999999999999 109.142 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -115.34 -66.18 1.11 Allowed 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.624 -1.171 . . . . 2.2200000000000002 110.797 -173.082 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 24.0 m -105.82 -55.99 2.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.638 -1.164 . . . . 1.0900000000000001 112.377 -172.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.628 ' C ' ' HG3' ' A' ' 72' ' ' MET . 57.1 mtpt 77.67 11.14 2.14 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 114.747 -1.115 . . . . 1.74 111.468 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.628 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 43.53 -156.62 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 O-C-N 124.45 1.094 . . . . 1.71 113.124 176.412 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.23 77.6 1.57 Allowed 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 107.509 -1.293 . . . . 1.26 107.509 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.709 ' ND2' ' HA ' ' A' ' 51' ' ' ALA . 2.5 m120 -23.75 -51.33 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 O-C-N 125.451 1.72 . . . . 2.3700000000000001 114.68 -170.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -153.09 26.63 0.53 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.519 0.676 . . . . 2.3799999999999999 109.478 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.24 -0.886 . . . . 2.1699999999999999 110.474 -175.344 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.626 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 15.2 m-85 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 108.063 -1.088 . . . . 0.79000000000000004 108.063 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.554 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 13.7 ttp180 -163.34 144.2 9.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.499 0.499 . . . . 1.6699999999999999 110.329 165.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.4 -32.39 2.58 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.087 -0.578 . . . . 1.3899999999999999 113.627 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.626 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -80.21 44.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.483 0.549 . . . . 1.8500000000000001 112.483 -175.606 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.05 28.1 73.49 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.245 -0.979 . . . . 1.05 111.058 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.608 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -46.79 130.47 3.3 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.688 0 N-CA-C 113.674 0.99 . . . . 0.42999999999999999 113.674 -175.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.54 -19.03 13.8 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 113.702 -1.59 . . . . 0.34999999999999998 109.409 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.992 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 63.33 171.02 0.16 Allowed 'General case' 0 CA--C 1.545 0.766 0 O-C-N 123.964 0.79 . . . . 1.1399999999999999 109.492 173.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.853 ' N ' HD13 ' A' ' 19' ' ' LEU . 5.1 t -60.22 162.84 5.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.094 -1.004 . . . . 0.88 110.398 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.28 -50.6 72.99 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.282 0.475 . . . . 2.1499999999999999 112.282 -167.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.78 -64.55 0.86 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.413 -0.358 . . . . 2.0499999999999998 111.766 -174.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.992 ' HB2' HD11 ' A' ' 19' ' ' LEU . 26.2 mm-40 -46.95 -36.58 7.83 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.475 1.287 . . . . 2.0099999999999998 114.475 -173.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.701 ' CE2' HG21 ' A' ' 40' ' ' VAL . 39.1 t80 -65.16 -54.11 34.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.323 -0.621 . . . . 0.22 109.323 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -42.78 70.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.563 -0.744 . . . . 1.8 111.111 170.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.55 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 17.7 mm-40 -70.52 -18.79 62.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.998 -0.547 . . . . 1.27 111.374 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -67.03 -36.85 83.02 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.054 0.454 . . . . 0.16 109.83 174.195 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -62.47 -31.23 71.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.456 -0.793 . . . . 2.6299999999999999 109.225 175.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.06 -41.64 58.56 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.643 -0.708 . . . . 0.96999999999999997 110.541 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.516 ' CD2' ' HD2' ' A' ' 43' ' ' PHE . 9.6 t60 -51.54 -43.26 62.28 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.344 -0.389 . . . . 0.14000000000000001 110.263 173.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.608 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 5.2 t30 -55.51 -48.03 75.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.698 -0.683 . . . . 1.78 110.152 177.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.31 -59.63 3.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.002 -0.999 . . . . 0.19 112.004 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.406 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 37.2 t -61.0 -43.91 98.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.679 0.622 . . . . 0.27000000000000002 112.679 -172.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -84.75 3.9 35.31 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.667 -0.413 . . . . 1.04 111.686 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp 60.24 26.62 16.09 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.784 -0.643 . . . . 1.27 111.487 170.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.734 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.54 -170.82 1.72 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.562 -0.744 . . . . 0.35999999999999999 109.95 178.791 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.469 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 27.2 t70 -143.15 66.26 1.32 Allowed 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.298 -1.371 . . . . 1.0 107.298 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.734 HD22 HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -98.55 151.21 20.89 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.414 -1.266 . . . . 0.34000000000000002 110.425 -169.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -85.24 166.84 16.19 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.097 -0.501 . . . . 0.64000000000000001 109.771 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.77 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -64.26 -42.86 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 120.796 -0.362 . . . . 0.19 110.627 -173.739 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.638 ' O ' ' HG3' ' A' ' 45' ' ' MET . 37.4 mt-10 -45.89 -53.72 9.37 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 123.951 0.782 . . . . 0.81999999999999995 110.696 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 10.5 m-20 -54.04 -45.64 71.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.808 -0.633 . . . . 0.66000000000000003 111.562 177.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.727 ' HD1' HD23 ' A' ' 44' ' ' LEU . 17.3 t80 -58.92 -53.68 55.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.216 0.531 . . . . 0.23000000000000001 109.882 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.77 HD21 HG22 ' A' ' 40' ' ' VAL . 2.6 mt -53.9 -35.24 61.4 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 114.605 -1.18 . . . . 0.17000000000000001 109.947 -177.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 83.3 mtp -64.6 -57.8 8.09 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.592 0.557 . . . . 1.27 110.607 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 29.5 mt -47.0 -51.49 17.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.421 -0.808 . . . . 0.14000000000000001 111.435 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -71.49 -44.22 65.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.318 -0.401 . . . . 2.0800000000000001 111.365 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.856 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -44.24 -60.05 2.08 Favored 'General case' 0 C--O 1.215 -0.761 0 O-C-N 123.489 0.493 . . . . 0.46999999999999997 110.596 173.861 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 45' ' ' MET . 11.6 mtt180 -59.62 -48.36 81.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.935 0.398 . . . . 0.68999999999999995 111.037 -175.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.63 -56.76 17.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 0.41999999999999998 111.148 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.59 -49.26 78.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.768 -0.651 . . . . 0.52000000000000002 112.724 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.856 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 16.4 mt -77.9 -72.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.638 -0.425 . . . . 0.46000000000000002 110.499 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.44 43.38 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.051 -1.071 . . . . 0.55000000000000004 113.279 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -122.61 140.76 52.46 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.364 -0.606 . . . . 0.29999999999999999 109.364 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.54 45.18 2.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.64 0.607 . . . . 1.9299999999999999 112.64 -170.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -67.9 128.12 35.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.758 -0.46 . . . . 0.93000000000000005 109.758 170.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.538 ' O ' HG22 ' A' ' 60' ' ' VAL . 5.4 p-10 -44.61 -40.11 5.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 115.19 1.552 . . . . 0.69999999999999996 115.19 -170.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -61.45 -42.46 98.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.929 0.871 . . . . 2.3100000000000001 108.759 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -66.02 -35.34 80.31 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.841 -1.527 . . . . 0.13 111.779 177.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.8 m -76.24 -38.81 34.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 119.945 -0.702 . . . . 0.25 110.249 -176.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -69.01 -30.26 68.61 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.226 -0.443 . . . . 1.71 110.251 176.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.502 ' HB2' HD13 ' A' ' 46' ' ' LEU . 73.0 t80 -63.03 -53.94 46.0 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.803 -0.814 . . . . 0.17999999999999999 108.803 171.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.532 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.3 tmt_? -47.54 -61.07 2.1 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.905 -1.043 . . . . 1.4399999999999999 111.096 176.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.532 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 55.7 m -47.8 -52.27 19.45 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.675 0.62 . . . . 1.3 112.675 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.553 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 10.8 t90 -65.13 -51.91 58.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.753 0.311 . . . . 0.23000000000000001 111.362 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 7.4 t-105 -72.23 -23.51 61.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.39000000000000001 111.566 -172.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 6.6 m120 -94.15 -1.28 54.47 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 112.14 0.422 . . . . 0.38 112.14 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.4 m -93.92 -17.11 23.34 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.971 0.891 . . . . 0.84999999999999998 108.725 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 9.4 ptm180 -114.09 -58.14 2.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.4 -1.273 . . . . 1.7 111.528 -172.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 m -106.07 -60.73 1.6 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.808 -1.087 . . . . 0.33000000000000002 111.844 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.475 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.1 mtpt 76.25 24.67 1.09 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 114.426 -1.261 . . . . 1.2 109.453 -173.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.699 ' HB3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.424 0 CA-C-O 123.935 1.826 . . . . 1.2 115.465 170.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.597 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.779 -0.452 . . . . 0.79000000000000004 109.779 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -159.46 140.8 12.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.926 -0.579 . . . . 1.6699999999999999 109.693 167.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.87 -34.01 2.81 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.943 -0.646 . . . . 1.3899999999999999 113.797 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.597 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -78.33 47.68 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.772 0.656 . . . . 1.8500000000000001 112.772 -175.403 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.89 26.66 73.84 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.217 -0.992 . . . . 1.05 111.248 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.582 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -49.3 131.5 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.65 0 N-CA-C 113.66 0.985 . . . . 0.42999999999999999 113.66 -176.85 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.13 -8.67 14.4 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 113.506 -1.679 . . . . 0.34999999999999998 108.79 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.788 HD22 HD22 ' A' ' 44' ' ' LEU . 49.0 tp 58.74 -179.44 0.07 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.701 -1.136 . . . . 1.1399999999999999 111.016 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.608 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 1.1 t -65.64 167.6 8.83 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.327 -0.62 . . . . 0.88 109.327 172.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.79 -58.92 5.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.099 0.778 . . . . 2.1499999999999999 113.099 -164.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.86 -48.85 19.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.776 0.322 . . . . 2.0499999999999998 111.208 -171.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.499 ' HB3' HD21 ' A' ' 19' ' ' LEU . 7.3 mp0 -46.73 -42.36 16.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.094 -0.957 . . . . 2.0099999999999998 112.826 -177.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.741 ' CE2' HG21 ' A' ' 40' ' ' VAL . 36.1 t80 -66.32 -57.93 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.22 110.36 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -52.51 -40.04 61.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.575 0.702 . . . . 1.8 111.082 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -77.6 -17.01 58.23 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 122.059 -0.4 . . . . 1.27 110.97 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.596 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -62.4 -33.58 75.05 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.297 -0.631 . . . . 0.16 109.297 168.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 56.7 mtm180 -63.08 -30.83 71.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.498 -0.773 . . . . 2.6299999999999999 109.027 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -76.67 -35.21 58.1 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.96999999999999997 111.552 169.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.469 ' CD2' ' HD2' ' A' ' 43' ' ' PHE . 3.8 t60 -54.28 -40.93 68.3 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.888 -0.782 . . . . 0.14000000000000001 108.888 173.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.578 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 2.6 t30 -53.22 -49.51 66.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.304 -0.862 . . . . 1.78 110.236 172.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.23 -60.1 2.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.92 -1.036 . . . . 0.19 112.36 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.1 t -59.89 -36.68 77.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.653 -0.703 . . . . 0.27000000000000002 112.816 -172.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.467 ' HD3' ' CD2' ' A' ' 65' ' ' TRP . 21.7 mmm180 -97.94 4.65 49.46 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.263 -0.575 . . . . 1.04 111.991 -175.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 59.82 24.16 13.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.148 0.499 . . . . 1.27 111.873 173.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.641 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -104.7 -173.4 2.3 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.754 -0.657 . . . . 0.35999999999999999 109.235 176.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.435 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 31.4 t70 -139.18 32.29 2.14 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 122.248 1.023 . . . . 1.0 108.389 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.641 HD22 HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -59.45 148.38 33.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.723 -1.58 . . . . 0.34000000000000002 111.432 -175.164 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -86.79 172.31 10.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.873 -0.603 . . . . 0.64000000000000001 109.528 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.781 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -67.36 -42.55 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 120.311 -0.556 . . . . 0.19 111.473 -171.479 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.604 ' O ' ' HG3' ' A' ' 45' ' ' MET . 31.4 mt-10 -48.94 -51.57 29.49 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.448 0.468 . . . . 0.81999999999999995 110.171 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.7 m-20 -53.89 -42.66 68.91 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.787 -0.642 . . . . 0.66000000000000003 112.065 176.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.635 ' HD1' HD23 ' A' ' 44' ' ' LEU . 46.8 t80 -61.31 -52.14 65.94 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.304 0.573 . . . . 0.23000000000000001 109.584 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.788 HD22 HD22 ' A' ' 19' ' ' LEU . 2.2 mt -55.75 -34.36 65.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.239 -1.346 . . . . 0.17000000000000001 109.491 -175.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.604 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 79.1 mtp -62.93 -60.13 3.88 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.374 0.421 . . . . 1.27 111.284 173.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 20.5 mt -49.38 -52.03 31.04 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.644 -0.707 . . . . 0.14000000000000001 111.77 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.468 HH21 ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -66.93 -41.57 86.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.068 -0.515 . . . . 2.0800000000000001 109.828 -178.588 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.902 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -48.76 -65.16 0.61 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.83 -0.623 . . . . 0.46999999999999997 110.591 173.357 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.633 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 6.4 mtt180 -57.4 -52.35 65.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.349 0.595 . . . . 0.68999999999999995 109.977 -172.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.58 18.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.473 -1.239 . . . . 0.41999999999999998 111.46 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.468 ' HB3' HH21 ' A' ' 47' ' ' ARG . . . -65.94 -36.75 84.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.021 0.748 . . . . 0.52000000000000002 113.021 -178.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.902 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 19.7 mt -80.59 -71.79 0.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.554 -0.458 . . . . 0.46000000000000002 110.904 -174.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.06 43.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.612 -0.804 . . . . 0.55000000000000004 112.509 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.633 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -128.89 140.65 51.59 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.471 -0.566 . . . . 0.29999999999999999 109.471 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -121.85 44.23 2.63 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.085 0.402 . . . . 1.9299999999999999 112.085 -171.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.79 134.89 49.05 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.154 -0.684 . . . . 0.93000000000000005 109.154 171.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.537 ' O ' HG22 ' A' ' 60' ' ' VAL . 2.9 p-10 -44.9 -43.95 9.29 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 115.709 1.744 . . . . 0.69999999999999996 115.709 -169.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 p30 -62.07 -39.27 91.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.93 0.871 . . . . 2.3100000000000001 109.321 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -69.23 -30.47 68.63 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 113.83 -1.532 . . . . 0.13 112.357 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.6 m -79.46 -35.79 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 119.574 -0.851 . . . . 0.25 109.987 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -70.51 -24.46 62.83 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 121.445 0.64 . . . . 1.71 109.778 174.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CG ' ' HB3' ' A' ' 46' ' ' LEU . 83.8 t80 -67.99 -59.2 3.45 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.424 -0.954 . . . . 0.17999999999999999 108.424 169.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -60.75 2.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.022 -0.99 . . . . 1.4399999999999999 112.394 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.6 p -44.32 -54.75 5.5 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.47 0.915 . . . . 1.3 113.47 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.599 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 2.7 t90 -74.17 -48.08 31.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.765 0.316 . . . . 0.23000000000000001 111.642 -178.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.711 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 69.1 t-105 -65.86 -36.19 82.75 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 122.899 0.48 . . . . 0.39000000000000001 111.463 -171.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -84.48 1.24 46.5 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.424 0.631 . . . . 0.38 110.888 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.1 t -95.23 -20.34 19.29 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.909 0.861 . . . . 0.84999999999999998 108.885 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 2.0 ptm180 -116.46 -62.41 1.59 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.247 -1.342 . . . . 1.7 111.402 -172.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.527 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 6.2 m -96.61 -64.8 1.01 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.061 -0.972 . . . . 0.33000000000000002 111.654 -172.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.573 ' C ' ' HG3' ' A' ' 72' ' ' MET . 48.5 mtpt 77.63 1.89 2.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 114.637 -1.165 . . . . 1.2 111.963 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.711 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 115.14 1.533 . . . . 1.2 115.14 166.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.517 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 1.5 m-85 . . . . . 0 CA--C 1.518 -0.279 0 N-CA-C 110.07 -0.344 . . . . 0.79000000000000004 110.07 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -161.97 146.6 12.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 1.6699999999999999 109.089 167.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.62 52.02 53.71 Favored Glycine 0 CA--C 1.517 0.202 0 C-N-CA 120.822 -0.704 . . . . 1.3899999999999999 113.028 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.517 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -162.44 37.91 0.11 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.209 0.528 . . . . 1.8500000000000001 111.127 179.458 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.06 28.8 67.78 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.656 -0.978 . . . . 1.05 110.656 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.481 HG21 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -53.68 128.76 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 N-CA-C 113.536 0.939 . . . . 0.42999999999999999 113.536 -176.265 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.04 -8.78 15.77 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 113.762 -1.563 . . . . 0.34999999999999998 108.821 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.965 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.2 tm? 59.47 177.24 0.08 Allowed 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.946 -1.025 . . . . 1.1399999999999999 109.073 176.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.853 ' N ' HD13 ' A' ' 19' ' ' LEU . 14.0 t -66.1 172.37 3.84 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.61 -1.306 . . . . 0.88 110.198 172.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -59.9 -58.17 9.69 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 112.788 0.662 . . . . 2.1499999999999999 112.788 -170.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.92 -62.71 1.35 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.972 0.36 . . . . 2.0499999999999998 111.972 -172.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.965 ' HB2' HD11 ' A' ' 19' ' ' LEU . 58.7 mt-10 -56.58 -29.6 62.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.697 1.369 . . . . 2.0099999999999998 114.697 -167.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.845 ' CE2' HG21 ' A' ' 40' ' ' VAL . 35.9 t80 -65.79 -58.13 6.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 118.664 0.665 . . . . 0.22 109.781 177.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -52.76 -43.49 65.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.635 0.731 . . . . 1.8 111.024 171.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.622 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 32.7 mm-40 -69.07 -22.06 64.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.5 -0.773 . . . . 1.27 111.931 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.18 -36.49 84.23 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.233 0.54 . . . . 0.16 109.561 174.585 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 54.1 mtm180 -63.32 -31.23 72.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.131 -0.94 . . . . 2.6299999999999999 109.456 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -75.76 -39.91 56.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.177 -0.465 . . . . 0.96999999999999997 110.75 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -50.49 -37.95 41.45 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 110.193 -0.299 . . . . 0.14000000000000001 110.193 172.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.563 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 26.1 t-20 -56.4 -51.79 67.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.017 -0.538 . . . . 1.78 109.974 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.73 -61.4 2.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.281 -0.872 . . . . 0.19 112.246 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.1 t -58.91 -40.93 85.97 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.99 0.737 . . . . 0.27000000000000002 112.99 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -91.28 -0.65 57.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.576 0.584 . . . . 1.04 112.576 -175.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.05 56.99 4.87 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.141 -0.936 . . . . 1.27 110.883 174.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.682 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -139.25 -174.24 3.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.523 -0.917 . . . . 0.35999999999999999 108.523 -176.435 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -137.1 37.82 2.55 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.064 -1.087 . . . . 1.0 108.064 -176.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.682 HD22 HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -69.26 149.25 48.73 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.158 -1.383 . . . . 0.34000000000000002 110.963 -175.483 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m -86.97 175.42 8.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.066 -0.516 . . . . 0.64000000000000001 109.693 175.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.845 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -67.5 -46.47 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 120.219 -0.592 . . . . 0.19 110.148 -176.177 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.626 ' O ' ' HG3' ' A' ' 45' ' ' MET . 30.2 mt-10 -50.46 -43.81 55.44 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 123.615 0.572 . . . . 0.81999999999999995 110.061 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 20.9 m-20 -59.17 -42.41 90.71 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.356 -0.384 . . . . 0.66000000000000003 111.598 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.564 ' HD1' HD23 ' A' ' 44' ' ' LEU . 9.0 t80 -60.12 -51.89 67.7 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.597 0.713 . . . . 0.23000000000000001 109.079 175.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.602 HD23 ' N ' ' A' ' 44' ' ' LEU . 2.6 mt -59.53 -25.82 64.83 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.152 -1.385 . . . . 0.17000000000000001 110.085 -174.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 25.5 mtm -66.45 -60.02 3.13 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.306 0.575 . . . . 1.27 110.602 172.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 62' ' ' PHE . 19.5 mt -52.64 -52.94 53.31 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 114.84 -1.073 . . . . 0.14000000000000001 110.705 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.488 ' HG3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -61.24 -50.69 72.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.097 -0.956 . . . . 2.0800000000000001 111.047 178.439 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.882 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.32 -61.12 0.82 Allowed 'General case' 0 C--O 1.217 -0.658 0 O-C-N 123.526 0.516 . . . . 0.46999999999999997 110.939 172.612 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.591 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 32.4 mtt-85 -63.37 -32.14 73.49 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.872 0.368 . . . . 0.68999999999999995 110.598 -170.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.62 -58.49 4.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.154 -0.475 . . . . 0.41999999999999998 110.91 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.94 -47.43 74.47 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.403 0.52 . . . . 0.52000000000000002 112.403 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.882 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 12.4 mt -75.56 -69.25 0.5 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 0.46000000000000002 110.371 -174.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.23 42.08 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.119 -1.038 . . . . 0.55000000000000004 113.63 172.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -113.07 140.97 47.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.219 0.509 . . . . 0.29999999999999999 110.563 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.48 43.84 1.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 1.9299999999999999 111.676 -174.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.515 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 2.8 t70 -67.11 120.03 13.02 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.723 -0.843 . . . . 0.93000000000000005 108.723 169.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.569 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.4 p-10 -39.99 -42.13 1.32 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 115.323 1.601 . . . . 0.69999999999999996 115.323 -172.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.42 ' C ' HD22 ' A' ' 46' ' ' LEU . 28.4 m-20 -60.09 -41.34 92.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.948 0.88 . . . . 2.3100000000000001 109.112 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -70.73 -34.01 71.44 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.017 -1.447 . . . . 0.13 111.832 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.1 m -74.93 -37.81 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 119.92 -0.712 . . . . 0.25 110.136 -175.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -68.5 -35.23 77.22 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.291 -0.413 . . . . 1.71 110.064 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.541 ' HB2' HD13 ' A' ' 46' ' ' LEU . 73.3 t80 -58.86 -57.37 13.34 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 109.088 -0.708 . . . . 0.17999999999999999 109.088 172.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -46.1 -59.63 2.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.428 -0.805 . . . . 1.4399999999999999 110.77 174.358 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.6 t -41.5 -57.98 2.05 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.994 0.809 . . . . 1.3 112.114 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.496 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 11.6 t90 -68.81 -49.72 56.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.899 0.381 . . . . 0.23000000000000001 111.921 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 21.9 t-105 -72.9 -24.92 60.9 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.256 -0.429 . . . . 0.39000000000000001 111.649 -169.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 23.2 m-80 -94.6 4.25 54.07 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.366 0.603 . . . . 0.38 110.862 -177.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -92.39 -21.27 20.31 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.507 0.67 . . . . 0.84999999999999998 109.277 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -114.05 -65.09 1.22 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.901 -1.045 . . . . 1.7 110.766 -173.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.9 m -92.03 -58.74 2.3 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.562 -1.199 . . . . 0.33000000000000002 111.808 -175.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.572 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.0 mtpt 73.16 22.8 2.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 124.609 1.193 . . . . 1.2 109.984 -172.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.572 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.682 0 CA-C-N 113.629 -1.623 . . . . 1.2 115.155 170.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.575 ' CB ' ' HD3' ' A' ' 15' ' ' ARG . 1.0 OUTLIER . . . . . 0 CA--C 1.514 -0.439 0 CA-C-O 121.591 0.71 . . . . 0.79000000000000004 111.06 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.492 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 9.5 ttp180 -165.23 145.91 7.22 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 113.883 -1.508 . . . . 1.6699999999999999 108.05 172.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.42 58.25 2.95 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 119.62 -1.276 . . . . 1.3899999999999999 113.821 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.575 ' HD3' ' CB ' ' A' ' 12' ' ' TYR . 11.7 ptm180 -179.31 33.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.957 0.378 . . . . 1.8500000000000001 111.133 -177.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.03 31.07 71.55 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.062 -1.215 . . . . 1.05 110.062 -172.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.474 HG11 ' C ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -41.4 128.18 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.762 0 CA-C-N 114.399 -0.901 . . . . 0.42999999999999999 112.964 -176.775 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.96 -14.37 29.61 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.338 -1.301 . . . . 0.34999999999999998 109.509 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' A' ' 23' ' ' GLU . 2.5 tm? 60.86 -172.35 0.14 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 107.824 -1.176 . . . . 1.1399999999999999 107.824 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.799 ' N ' HD13 ' A' ' 19' ' ' LEU . 2.5 t -70.71 162.81 28.37 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 120.833 -1.167 . . . . 0.88 108.925 166.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -58.08 -57.9 10.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.161 0.801 . . . . 2.1499999999999999 113.161 -168.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.92 -58.05 4.31 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.851 0.315 . . . . 2.0499999999999998 111.851 -170.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.884 ' HB2' HD11 ' A' ' 19' ' ' LEU . 11.3 mm-40 -46.6 -38.4 9.52 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.017 1.117 . . . . 2.0099999999999998 114.017 -175.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.641 ' CE2' HG21 ' A' ' 40' ' ' VAL . 39.1 t80 -61.04 -59.34 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.18 0.514 . . . . 0.22 110.477 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -51.62 -40.72 60.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 1.8 110.599 171.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.615 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 13.0 mm-40 -67.89 -21.63 65.14 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.504 -0.771 . . . . 1.27 112.078 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.594 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -64.4 -37.65 88.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.653 -0.499 . . . . 0.16 109.653 174.052 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 45.0 mtm180 -60.76 -35.22 75.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.467 -0.788 . . . . 2.6299999999999999 109.441 176.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.33 -36.92 63.69 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.068 -0.515 . . . . 0.96999999999999997 110.683 173.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.446 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.0 t-160 -52.68 -40.24 62.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.475 -0.33 . . . . 0.14000000000000001 110.473 173.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.47 ' HA ' HD12 ' A' ' 36' ' ' LEU . 13.3 m-80 -53.5 -50.84 64.53 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.573 0.546 . . . . 1.78 109.844 173.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.04 -60.65 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.137 -0.938 . . . . 0.19 112.392 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 65' ' ' TRP . 30.4 t -59.94 -38.82 83.52 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.794 0.664 . . . . 0.27000000000000002 112.794 -170.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.488 HH11 ' HB2' ' A' ' 65' ' ' TRP . 8.1 mmm180 -91.64 4.14 53.39 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.324 -0.55 . . . . 1.04 111.539 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 54.69 42.11 31.45 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.169 -0.923 . . . . 1.27 111.769 174.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.664 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -129.62 -175.78 3.7 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.168 -0.679 . . . . 0.35999999999999999 109.168 -177.049 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -141.45 105.47 4.77 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.664 HD22 HD13 ' A' ' 36' ' ' LEU . 2.3 pt? -136.21 155.67 49.79 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.815 -0.629 . . . . 0.34000000000000002 109.98 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.8 m -89.75 167.51 12.82 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.003 -0.999 . . . . 0.64000000000000001 109.302 175.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.736 HG22 HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -61.03 -44.07 97.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.705 -0.398 . . . . 0.19 110.852 -169.839 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' ' 45' ' ' MET . 35.0 mt-10 -44.49 -53.6 6.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.838 0.711 . . . . 0.81999999999999995 111.015 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.3 m-20 -58.42 -42.15 86.58 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.412 -0.358 . . . . 0.66000000000000003 111.889 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.682 ' HD1' HD23 ' A' ' 44' ' ' LEU . 18.6 t80 -59.02 -53.87 53.52 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.19 -0.67 . . . . 0.23000000000000001 109.19 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.848 HD22 ' HG ' ' A' ' 19' ' ' LEU . 1.9 mt -53.9 -33.56 56.94 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 114.175 -1.375 . . . . 0.17000000000000001 110.004 -178.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.581 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 91.8 mtp -66.3 -56.26 12.03 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.336 0.397 . . . . 1.27 110.775 174.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 31.5 mt -46.78 -51.12 17.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.754 -0.657 . . . . 0.14000000000000001 111.633 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.59 ' NH2' ' HG3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -69.29 -46.3 67.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.23 -0.441 . . . . 2.0800000000000001 110.666 178.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.902 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -45.09 -62.84 1.09 Allowed 'General case' 0 C--O 1.214 -0.794 0 O-C-N 123.963 0.79 . . . . 0.46999999999999997 111.07 177.031 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.581 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 13.3 mtt180 -53.03 -52.71 57.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.86 0.362 . . . . 0.68999999999999995 110.716 -174.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.07 -55.95 17.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.232 -0.895 . . . . 0.41999999999999998 111.61 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.96 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.592 0.757 . . . . 0.52000000000000002 112.577 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.902 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -89.22 -73.16 0.52 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.389 -0.369 . . . . 0.46000000000000002 110.762 -171.141 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.07 36.88 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.992 -1.099 . . . . 0.55000000000000004 113.416 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -121.42 138.1 54.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.28 0.54 . . . . 0.29999999999999999 110.333 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.4 49.12 1.31 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.274 -0.421 . . . . 1.9299999999999999 111.498 -173.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.99 130.33 41.87 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.193 -0.669 . . . . 0.93000000000000005 109.193 171.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.597 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.5 p-10 -46.06 -37.8 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 115.255 1.576 . . . . 0.69999999999999996 115.255 -169.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -43.1 99.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 119.011 0.823 . . . . 2.3100000000000001 109.223 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.93 -35.83 81.7 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 113.954 -1.475 . . . . 0.13 111.556 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.8 m -75.9 -38.2 35.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.951 -0.699 . . . . 0.25 110.537 -176.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -70.37 -24.02 62.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.225 0.536 . . . . 1.71 110.25 176.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.467 ' HB2' HD13 ' A' ' 46' ' ' LEU . 82.5 t80 -67.75 -54.19 21.26 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.888 -0.782 . . . . 0.17999999999999999 108.888 169.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -51.85 -60.79 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.216 -0.902 . . . . 1.4399999999999999 111.307 177.84 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.448 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 49.8 m -48.17 -37.31 15.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.221 0.823 . . . . 1.3 113.221 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.488 ' HB2' HH11 ' A' ' 34' ' ' ARG . 8.9 t90 -82.19 -53.16 6.29 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.137 -0.352 . . . . 0.23000000000000001 111.109 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.672 ' CD1' ' HB3' ' A' ' 72' ' ' MET . 11.7 t-105 -68.06 -25.98 65.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.02 -0.536 . . . . 0.39000000000000001 111.378 -170.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.568 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 9.5 m120 -94.42 1.43 55.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.38 111.747 -176.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 66.0 m -93.82 -18.12 22.36 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.696 0.76 . . . . 0.84999999999999998 109.379 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -114.02 -69.77 0.84 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.672 -1.149 . . . . 1.7 110.377 -174.546 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.2 m -85.2 -56.96 3.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.3 -1.318 . . . . 0.33000000000000002 111.844 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.588 ' C ' ' HG3' ' A' ' 72' ' ' MET . 31.3 mtpt 74.7 21.49 2.16 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 114.53 -1.214 . . . . 1.2 109.454 -171.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.672 ' HB3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.292 0 CA-C-N 113.01 -1.905 . . . . 1.2 115.478 168.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.671 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 4.5 m-85 . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 108.958 -0.756 . . . . 0.79000000000000004 108.958 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -169.48 115.84 0.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.412 0.445 . . . . 1.6699999999999999 109.981 172.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.46 ' HA2' ' OE1' ' A' ' 41' ' ' GLU . . . 112.01 -45.14 1.36 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.383 -0.913 . . . . 1.3899999999999999 113.009 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.671 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -78.64 54.55 1.51 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.807 0.669 . . . . 1.8500000000000001 112.807 -172.416 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.28 30.52 76.87 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.009 -1.091 . . . . 1.05 111.375 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -54.72 132.11 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.655 0 CA-C-O 122.253 1.025 . . . . 0.42999999999999999 113.587 -176.197 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.47 -13.92 15.88 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 113.452 -1.704 . . . . 0.34999999999999998 109.253 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.002 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.3 tm? 62.77 178.27 0.14 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.109 0.881 . . . . 1.1399999999999999 108.913 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.876 ' N ' HD13 ' A' ' 19' ' ' LEU . 4.3 t -68.67 177.65 2.41 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.821 -1.175 . . . . 0.88 109.351 170.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.96 -53.56 30.54 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 121.852 -0.53 . . . . 2.1499999999999999 112.214 -172.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.74 -62.83 1.24 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.46 0.541 . . . . 2.0499999999999998 112.46 -171.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 1.002 ' HB2' HD11 ' A' ' 19' ' ' LEU . 22.0 mm-40 -48.21 -32.93 7.78 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.754 1.02 . . . . 2.0099999999999998 113.754 -173.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.664 ' CD2' HG21 ' A' ' 40' ' ' VAL . 30.7 t80 -67.1 -56.01 11.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.01 0.433 . . . . 0.22 109.854 -179.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -52.06 -44.57 64.34 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.69 0.757 . . . . 1.8 110.766 170.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.651 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.6 mm-40 -70.67 -18.95 62.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.588 -0.733 . . . . 1.27 111.786 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.665 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -65.87 -38.26 88.34 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 120.998 0.427 . . . . 0.16 110.012 173.52 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -60.72 -32.81 72.05 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.312 -0.858 . . . . 2.6299999999999999 109.107 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -77.87 -39.24 43.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.764 -0.653 . . . . 0.96999999999999997 111.082 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 10.1 t-160 -50.39 -41.43 52.02 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.631 0.253 . . . . 0.14000000000000001 110.438 172.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.509 ' HA ' HD12 ' A' ' 36' ' ' LEU . 9.7 t30 -57.27 -48.08 79.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.776 -0.647 . . . . 1.78 110.11 176.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.48 -61.22 1.92 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.894 -1.048 . . . . 0.19 112.368 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.407 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 34.2 t -56.57 -44.98 81.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.621 0.6 . . . . 0.27000000000000002 112.621 -173.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -84.53 -2.07 56.78 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.845 -0.342 . . . . 1.04 111.3 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 58.92 31.44 21.32 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.634 -0.712 . . . . 1.27 111.63 173.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.573 HD13 HD22 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -109.32 -169.22 1.44 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.833 -0.621 . . . . 0.35999999999999999 110.342 -179.136 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -141.26 103.17 4.38 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.821 -0.807 . . . . 1.0 108.821 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.573 HD22 HD13 ' A' ' 36' ' ' LEU . 1.5 pt? -137.22 161.5 36.02 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.584 0.707 . . . . 0.34000000000000002 110.895 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -102.47 154.12 19.4 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.769 -1.197 . . . . 0.64000000000000001 107.769 171.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.726 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -45.28 -39.62 2.37 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 113.051 0.76 . . . . 0.19 113.051 -171.704 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.664 ' O ' ' HG3' ' A' ' 45' ' ' MET . 22.2 mt-10 -48.92 -55.28 12.26 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.342 0.401 . . . . 0.81999999999999995 111.102 -179.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.587 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 9.9 m-20 -57.98 -34.3 69.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.617 -0.265 . . . . 0.66000000000000003 111.38 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.582 ' HD1' HD23 ' A' ' 44' ' ' LEU . 6.7 t80 -63.5 -53.26 54.72 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.157 -0.683 . . . . 0.23000000000000001 109.157 173.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.726 HD21 HG22 ' A' ' 40' ' ' VAL . 3.5 mt -57.01 -30.12 63.92 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 114.454 -1.248 . . . . 0.17000000000000001 110.024 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.664 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 72.4 mtp -65.74 -58.23 6.16 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.973 0.795 . . . . 1.27 110.509 174.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 24.2 mt -50.56 -54.5 22.04 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.82 -0.627 . . . . 0.14000000000000001 111.056 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -58.83 -51.34 70.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.485 -0.78 . . . . 2.0800000000000001 110.801 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.873 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -41.36 -62.72 0.81 Allowed 'General case' 0 C--O 1.213 -0.82 0 O-C-N 123.783 0.677 . . . . 0.46999999999999997 111.324 174.142 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 16.8 mtt180 -57.26 -42.32 81.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.723 0.297 . . . . 0.68999999999999995 110.954 -170.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.55 -55.67 28.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.861 -0.609 . . . . 0.41999999999999998 110.868 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.43 -40.9 79.39 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.612 0.597 . . . . 0.52000000000000002 112.612 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.873 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.0 mt -82.99 -77.04 0.25 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.431 -0.35 . . . . 0.46000000000000002 110.603 -174.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.06 16.23 0.02 OUTLIER Glycine 0 CA--C 1.522 0.503 0 C-N-CA 119.838 -1.172 . . . . 0.55000000000000004 114.023 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.575 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -95.27 134.48 37.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.678 0.739 . . . . 0.29999999999999999 111.123 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -109.41 47.83 0.91 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.682 -0.69 . . . . 1.9299999999999999 111.36 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 14.4 t70 -69.88 122.38 19.15 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.005 -0.739 . . . . 0.93000000000000005 109.005 169.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.515 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.4 p-10 -38.55 -42.48 0.77 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 115.752 1.76 . . . . 0.69999999999999996 115.752 -173.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.402 ' C ' HD22 ' A' ' 46' ' ' LEU . 26.9 m-20 -61.94 -38.54 88.87 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.38 0.991 . . . . 2.3100000000000001 109.196 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.3 -33.49 67.43 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.506 -1.225 . . . . 0.13 111.425 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.515 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.2 m -76.84 -36.68 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 119.922 -0.711 . . . . 0.25 110.093 -176.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -71.43 -30.54 66.18 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.245 -0.434 . . . . 1.71 109.846 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.489 ' HB2' HD13 ' A' ' 46' ' ' LEU . 60.9 t80 -60.41 -57.61 12.05 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.781 -0.822 . . . . 0.17999999999999999 108.781 170.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.6 tmt_? -48.22 -60.76 2.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.383 -0.826 . . . . 1.4399999999999999 110.948 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.436 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 49.9 m -42.49 -56.59 2.99 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.844 0.715 . . . . 1.3 112.555 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.477 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 7.7 t90 -66.88 -49.46 65.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.699 0.285 . . . . 0.23000000000000001 111.513 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.651 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 8.5 t-105 -70.98 -24.28 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.356 -0.384 . . . . 0.39000000000000001 111.511 -170.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 18.7 m-80 -95.27 2.66 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.369 0.604 . . . . 0.38 110.768 -175.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.0 m -92.24 -21.33 20.39 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 121.737 0.779 . . . . 0.84999999999999998 109.39 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.24 -68.45 0.93 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.663 -1.153 . . . . 1.7 110.82 -174.35 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 26.2 m -91.6 -58.21 2.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.547 -1.206 . . . . 0.33000000000000002 111.944 -174.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.621 ' C ' ' HG3' ' A' ' 72' ' ' MET . 51.2 mtpt 75.25 22.53 1.7 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.652 -1.158 . . . . 1.2 110.002 -173.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.621 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 1.2 ppp? . . . . . 0 N--CA 1.469 0.475 0 CA-C-N 113.662 -1.608 . . . . 1.2 114.79 171.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.572 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 . . . . . 0 CA--C 1.512 -0.519 0 N-CA-C 109.207 -0.664 . . . . 0.79000000000000004 109.207 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -176.51 141.55 0.4 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.241 -1.022 . . . . 1.6699999999999999 108.241 169.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.43 41.42 4.82 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 119.774 -1.203 . . . . 1.3899999999999999 110.891 -172.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.572 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 6.2 ptp180 -173.34 -166.83 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.162 -0.519 . . . . 1.8500000000000001 109.916 -172.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.64 49.29 2.37 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.756 -0.657 . . . . 1.05 112.141 173.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.508 HG13 ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -61.88 133.02 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-O 121.772 0.796 . . . . 0.42999999999999999 112.058 -179.375 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.26 -9.39 14.3 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.158 -1.383 . . . . 0.34999999999999998 108.947 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 20' ' ' THR . 3.1 tm? 59.51 179.8 0.08 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.092 -0.958 . . . . 1.1399999999999999 108.743 176.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.865 ' N ' HD13 ' A' ' 19' ' ' LEU . 12.2 t -67.67 -177.16 0.72 Allowed 'General case' 0 C--N 1.321 -0.667 0 O-C-N 120.604 -1.31 . . . . 0.88 109.627 170.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -72.1 -57.31 4.37 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 112.762 0.652 . . . . 2.1499999999999999 112.762 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.16 -61.19 2.05 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.08 0.4 . . . . 2.0499999999999998 112.08 -173.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.773 ' CB ' HD11 ' A' ' 19' ' ' LEU . 5.8 mt-10 -46.91 -35.95 7.04 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.19 1.181 . . . . 2.0099999999999998 114.19 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.739 ' CD2' HG21 ' A' ' 40' ' ' VAL . 34.4 t80 -68.64 -54.88 13.69 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.255 0.48 . . . . 0.22 110.076 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.24 -43.97 61.6 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.554 0.692 . . . . 1.8 110.893 171.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.572 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 39.0 mt-10 -77.01 -16.54 59.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.889 -0.596 . . . . 1.27 112.318 -177.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.674 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -62.44 -36.11 81.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.375 -0.602 . . . . 0.16 109.375 168.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -62.73 -34.63 77.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.191 -0.913 . . . . 2.6299999999999999 109.116 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.41 -43.42 70.04 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.953 -0.567 . . . . 0.96999999999999997 110.719 171.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.454 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 5.7 t60 -49.07 -43.8 41.36 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.308 -0.405 . . . . 0.14000000000000001 111.205 175.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.503 ' HA ' HD12 ' A' ' 36' ' ' LEU . 11.2 t30 -60.22 -43.73 95.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.22 0.533 . . . . 1.78 110.269 178.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.24 -60.97 2.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.123 -0.944 . . . . 0.19 111.713 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -57.14 -48.68 78.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.711 -0.677 . . . . 0.27000000000000002 112.795 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.447 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 10.5 mmm180 -82.7 -4.67 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.641 0.258 . . . . 1.04 111.514 -175.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt 60.67 27.42 17.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.647 -0.706 . . . . 1.27 111.552 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.559 HD13 HD22 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -101.9 -168.29 1.52 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.752 -0.658 . . . . 0.35999999999999999 110.252 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -145.93 95.08 2.58 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD22 HD13 ' A' ' 36' ' ' LEU . 1.5 pt? -128.44 163.14 25.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.468 0.652 . . . . 0.34000000000000002 110.919 -173.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 p -91.93 156.81 17.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.024 -1.102 . . . . 0.64000000000000001 108.024 169.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.739 HG21 ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -50.39 -37.17 14.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 C-N-CA 120.273 -0.571 . . . . 0.19 110.79 177.779 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.605 ' O ' ' HG3' ' A' ' 45' ' ' MET . 30.1 mt-10 -53.12 -51.25 62.54 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.465 0.478 . . . . 0.81999999999999995 110.168 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.506 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 34.6 m-20 -55.41 -41.14 72.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.494 -0.321 . . . . 0.66000000000000003 111.332 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.682 ' HD1' HD23 ' A' ' 44' ' ' LEU . 3.2 t80 -60.32 -51.21 70.5 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.368 0.604 . . . . 0.23000000000000001 109.446 176.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.729 HD21 HG22 ' A' ' 40' ' ' VAL . 3.5 mt -57.96 -32.2 67.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.432 -1.258 . . . . 0.17000000000000001 109.567 -174.401 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.605 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 73.7 mtp -64.33 -59.04 4.85 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.637 0.585 . . . . 1.27 110.893 174.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 23.2 mt -49.3 -54.36 17.37 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.551 0.691 . . . . 0.14000000000000001 110.845 178.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.601 ' HG3' ' OE2' ' A' ' 23' ' ' GLU . 1.1 ttt180 -58.23 -53.55 56.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.599 -1.182 . . . . 2.0800000000000001 110.723 178.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.871 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.6 m-70 -42.67 -60.69 1.47 Allowed 'General case' 0 C--O 1.218 -0.588 0 O-C-N 123.602 0.564 . . . . 0.46999999999999997 111.342 175.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.563 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 18.7 mtt180 -56.19 -45.92 79.61 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.208 -0.597 . . . . 0.68999999999999995 109.92 -173.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.68 -58.74 7.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.604 -0.725 . . . . 0.41999999999999998 111.496 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.44 -40.27 71.35 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.616 0.599 . . . . 0.52000000000000002 112.616 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.871 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 21.2 mt -80.67 -70.02 0.56 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.491 -0.322 . . . . 0.46000000000000002 110.592 -174.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.51 28.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.23 -0.986 . . . . 0.55000000000000004 113.427 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -109.17 139.54 43.94 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.482 0.658 . . . . 0.29999999999999999 111.376 177.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -118.95 52.64 1.04 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.413 -0.812 . . . . 1.9299999999999999 111.385 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -75.95 130.77 38.98 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.729 -0.841 . . . . 0.93000000000000005 108.729 170.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.678 ' HA ' HG22 ' A' ' 60' ' ' VAL . 2.8 p-10 -40.42 -42.59 1.63 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 116.295 1.961 . . . . 0.69999999999999996 116.295 -169.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.2 p30 -61.65 -38.28 87.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 119.475 1.034 . . . . 2.3100000000000001 109.952 -178.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 62' ' ' PHE . . . -73.18 -32.45 64.84 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.368 -1.287 . . . . 0.13 111.697 176.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' A' ' 57' ' ' ASN . 4.2 m -73.86 -39.96 52.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 C-N-CA 119.783 -0.767 . . . . 0.25 110.15 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -65.48 -26.19 67.82 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.036 -0.529 . . . . 1.71 110.358 174.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.472 ' HB2' HD13 ' A' ' 46' ' ' LEU . 89.7 t80 -66.92 -59.69 3.29 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.71 -0.677 . . . . 0.17999999999999999 110.21 174.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.598 ' HB2' ' ND2' ' A' ' 67' ' ' ASN . 4.0 ppt_? -63.67 -48.56 76.67 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 112.659 0.614 . . . . 1.4399999999999999 112.659 -176.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.7 p -45.33 -38.29 5.61 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 111.969 0.359 . . . . 1.3 111.969 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.457 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 4.0 t90 -86.13 -42.26 14.03 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.015 0.376 . . . . 0.23000000000000001 112.015 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.572 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 7.6 t-105 -77.88 -24.37 48.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.759 0.281 . . . . 0.39000000000000001 111.759 -171.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.598 ' ND2' ' HB2' ' A' ' 63' ' ' ARG . 68.4 m-20 -85.34 -6.07 59.26 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.236 0.541 . . . . 0.38 111.297 -176.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.6 t -94.26 -16.96 23.14 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.482 0.658 . . . . 0.84999999999999998 109.587 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.476 ' HG3' ' H ' ' A' ' 70' ' ' THR . 5.2 ptp180 -114.15 -65.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.361 -0.836 . . . . 1.7 111.213 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.476 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 44.1 m -98.61 -57.35 2.21 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.176 -0.92 . . . . 0.33000000000000002 111.744 -176.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.505 ' C ' ' HG3' ' A' ' 72' ' ' MET . 52.4 mtpt 74.76 32.26 0.86 Allowed 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.723 1.264 . . . . 1.2 109.574 -170.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.505 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.465 0 CA-C-N 113.743 -1.571 . . . . 1.2 114.808 175.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.554 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.6 m-85 . . . . . 0 N--CA 1.446 -0.626 0 N-CA-C 109.051 -0.722 . . . . 0.79000000000000004 109.051 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.444 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 35.8 ttp180 -163.72 146.36 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.221 -0.445 . . . . 1.6699999999999999 110.179 169.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.89 42.77 99.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 1.3899999999999999 112.463 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.554 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -149.99 34.18 0.67 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.351 0.596 . . . . 1.8500000000000001 110.571 -179.156 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.66 27.45 71.0 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.309 -0.948 . . . . 1.05 110.935 -175.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.454 HG21 HD12 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -50.07 126.81 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 CA-C-O 121.935 0.874 . . . . 0.42999999999999999 112.543 -178.216 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.64 -19.55 15.39 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 113.948 -1.478 . . . . 0.34999999999999998 109.174 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.123 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.32 165.91 0.11 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.124 -0.944 . . . . 1.1399999999999999 109.526 176.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.858 ' N ' HD13 ' A' ' 19' ' ' LEU . 8.3 t -60.79 168.89 2.09 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.293 -0.879 . . . . 0.88 110.554 175.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.59 -44.06 95.13 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.225 0.824 . . . . 2.1499999999999999 113.225 -167.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.465 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 32.3 t70 -78.91 -63.48 1.41 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.261 0.467 . . . . 2.0499999999999998 112.261 -171.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 1.123 ' HB2' HD11 ' A' ' 19' ' ' LEU . 28.8 mt-10 -45.98 -37.59 6.72 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.604 0.964 . . . . 2.0099999999999998 113.604 -174.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.828 ' CE2' HG21 ' A' ' 40' ' ' VAL . 37.1 t80 -64.43 -58.51 6.23 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.089 0.471 . . . . 0.22 110.329 -177.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -40.79 61.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.137 0.494 . . . . 1.8 111.21 171.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.598 ' HB3' ' CZ2' ' A' ' 66' ' ' TRP . 13.1 mm-40 -69.32 -22.89 63.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 1.27 111.683 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.585 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -63.8 -36.97 85.65 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.16 110.105 174.553 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.445 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 40.4 mtm180 -62.16 -36.25 81.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.731 -0.668 . . . . 2.6299999999999999 109.357 177.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.82 -38.33 73.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.93 -0.577 . . . . 0.96999999999999997 110.715 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 13.2 t-160 -51.59 -41.79 61.46 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.179 -0.464 . . . . 0.14000000000000001 110.369 173.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.522 ' OD1' HD23 ' A' ' 38' ' ' LEU . 27.3 m-20 -53.91 -48.05 70.56 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.35 0.595 . . . . 1.78 110.655 175.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.23 -60.48 2.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.194 -0.912 . . . . 0.19 112.155 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 t -58.97 -42.4 89.85 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.02 0.748 . . . . 0.27000000000000002 113.02 -171.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -92.31 6.9 45.12 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.972 0.73 . . . . 1.04 112.972 -171.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.55 54.68 8.95 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.039 -0.528 . . . . 1.27 111.028 177.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.549 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -144.24 -175.04 4.46 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.921 -0.77 . . . . 0.35999999999999999 108.921 -176.551 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -149.24 93.46 2.08 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.098 -0.705 . . . . 1.0 109.098 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.549 HD22 HD13 ' A' ' 36' ' ' LEU . 2.3 pt? -123.31 154.63 38.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.308 0.575 . . . . 0.34000000000000002 110.621 -176.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -83.7 168.93 15.81 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.038 -0.983 . . . . 0.64000000000000001 108.808 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.828 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -63.96 -42.11 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 C-N-CA 119.928 -0.709 . . . . 0.19 110.613 -174.558 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.612 ' O ' ' HG3' ' A' ' 45' ' ' MET . 24.5 mt-10 -45.89 -54.72 7.72 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.793 0.683 . . . . 0.81999999999999995 110.131 178.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.513 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 7.1 m-20 -54.67 -42.6 71.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.518 -0.764 . . . . 0.66000000000000003 111.608 178.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.724 ' HD1' HD23 ' A' ' 44' ' ' LEU . 16.5 t80 -60.89 -54.39 45.61 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.46 0.648 . . . . 0.23000000000000001 109.655 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.724 HD23 ' HD1' ' A' ' 43' ' ' PHE . 2.9 mt -54.32 -33.78 59.6 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 114.224 -1.353 . . . . 0.17000000000000001 109.609 -176.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.612 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 81.0 mtp -60.89 -59.09 5.93 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.469 0.481 . . . . 1.27 110.866 174.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.58 HD13 ' HB2' ' A' ' 62' ' ' PHE . 22.1 mt -48.1 -52.76 19.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.151 -0.931 . . . . 0.14000000000000001 111.88 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.478 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -69.33 -42.37 75.42 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.888 -0.325 . . . . 2.0800000000000001 110.503 -179.481 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.929 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -47.5 -64.19 0.85 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.826 -0.625 . . . . 0.46999999999999997 110.964 176.235 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.531 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 17.0 mtt180 -54.63 -50.97 66.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.045 0.45 . . . . 0.68999999999999995 110.808 -172.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.56 -54.04 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.924 -1.035 . . . . 0.41999999999999998 111.461 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.71 88.36 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.606 0.595 . . . . 0.52000000000000002 112.606 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.929 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 15.5 mt -84.7 -73.95 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.117 -0.233 . . . . 0.46000000000000002 110.583 -172.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.93 39.32 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.467 -0.873 . . . . 0.55000000000000004 112.645 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -122.16 141.87 50.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.014 0.435 . . . . 0.29999999999999999 110.24 178.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -116.53 41.24 2.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.83 0.678 . . . . 1.9299999999999999 112.83 -172.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 3.6 t70 -63.51 125.67 24.98 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.935 -0.765 . . . . 0.93000000000000005 108.935 170.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.584 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.2 p-10 -46.07 -36.05 5.42 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 115.181 1.549 . . . . 0.69999999999999996 115.181 -171.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -62.55 -44.12 97.12 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.663 -0.866 . . . . 2.3100000000000001 108.663 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.72 88.48 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 113.771 -1.558 . . . . 0.13 111.489 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.584 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.8 m -76.06 -37.4 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 119.939 -0.704 . . . . 0.25 110.581 -176.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -70.8 -31.28 67.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 120.879 0.371 . . . . 1.71 110.428 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.58 ' HB2' HD13 ' A' ' 46' ' ' LEU . 81.0 t80 -60.42 -53.25 59.78 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 108.966 -0.753 . . . . 0.17999999999999999 108.966 170.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -48.88 -59.27 3.73 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.72 -1.127 . . . . 1.4399999999999999 110.715 175.374 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.8 t -41.04 -60.11 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.936 0.772 . . . . 1.3 111.996 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.451 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 8.1 t90 -67.8 -53.05 30.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.692 0.282 . . . . 0.23000000000000001 111.572 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.63 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 23.3 t-105 -68.25 -27.24 66.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.375 -0.375 . . . . 0.39000000000000001 111.61 -169.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.544 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 15.4 m-80 -90.1 -1.26 57.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.967 0.358 . . . . 0.38 111.967 -176.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -94.01 -15.91 24.39 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.983 0.897 . . . . 0.84999999999999998 109.396 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.98 -64.14 1.35 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.377 -1.283 . . . . 1.7 110.319 -175.16 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -95.59 -64.83 1.02 Allowed 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 114.579 -1.191 . . . . 0.33000000000000002 111.913 -176.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HG2' ' HA ' ' A' ' 67' ' ' ASN . 36.3 mtpt 63.72 85.85 0.13 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.201 -1.363 . . . . 1.2 107.762 -159.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.63 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 4.5 ptt? . . . . . 0 C--N 1.315 -0.932 0 CA-C-N 112.218 -2.265 . . . . 1.2 115.938 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.632 ' HB2' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.296 0.57 . . . . 0.79000000000000004 109.953 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.42 ' CD ' ' HB3' ' A' ' 41' ' ' GLU . 11.9 ttp180 -158.55 176.6 12.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.245 -1.391 . . . . 1.6699999999999999 107.245 170.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.91 -62.6 4.19 Favored Glycine 0 CA--C 1.509 -0.324 0 C-N-CA 119.16 -1.495 . . . . 1.3899999999999999 113.845 171.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.632 ' HD3' ' HB2' ' A' ' 12' ' ' TYR . 6.6 ptm180 -65.97 28.5 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 125.175 1.39 . . . . 1.8500000000000001 113.698 -175.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.77 -33.71 1.65 Allowed Glycine 0 C--O 1.227 -0.335 0 C-N-CA 120.626 -0.797 . . . . 1.05 111.202 -172.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 45.6 116.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.873 1.669 . . . . 0.42999999999999999 114.482 176.135 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.38 -24.97 39.39 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.017 -1.447 . . . . 0.34999999999999998 109.868 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.894 HD21 ' HB3' ' A' ' 23' ' ' GLU . 44.5 tp 60.03 -172.17 0.13 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.308 -0.86 . . . . 1.1399999999999999 109.12 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.463 HG22 ' HB2' ' A' ' 23' ' ' GLU . 14.4 t -86.79 177.98 7.14 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 119.273 -0.971 . . . . 0.88 109.472 176.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.16 -50.69 65.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.627 0.251 . . . . 2.1499999999999999 111.36 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -66.95 -63.49 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.119 -0.491 . . . . 2.0499999999999998 111.145 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.894 ' HB3' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -45.53 -48.92 14.19 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.628 0.973 . . . . 2.0099999999999998 113.628 -173.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.83 ' CE2' HG21 ' A' ' 40' ' ' VAL . 30.4 t80 -66.14 -52.77 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.233 0.539 . . . . 0.22 110.579 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.26 -43.87 71.33 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.345 -0.843 . . . . 1.8 110.494 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.697 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 18.3 mm-40 -68.72 -26.13 65.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.582 -0.736 . . . . 1.27 111.749 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CD2' HG23 ' A' ' 40' ' ' VAL . 2.5 t90 -61.48 -38.21 86.47 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.068 0.461 . . . . 0.16 110.323 175.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -63.67 -29.97 71.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.578 -0.737 . . . . 2.6299999999999999 109.373 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.15 -40.4 59.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.949 -0.569 . . . . 0.96999999999999997 110.786 172.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CD2' ' HD2' ' A' ' 43' ' ' PHE . 4.7 t60 -50.81 -42.77 58.53 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.576 -0.284 . . . . 0.14000000000000001 110.287 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.642 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 44.4 t-20 -54.18 -56.75 15.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.798 0.686 . . . . 1.78 110.236 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.56 -59.75 4.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.219 -0.9 . . . . 0.19 112.297 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.4 t -59.34 -39.81 84.34 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.101 0.778 . . . . 0.27000000000000002 113.101 -171.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 28.3 mmm180 -93.92 -3.49 51.58 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.585 -0.446 . . . . 1.04 112.018 -176.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 65.01 22.31 12.4 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.351 0.596 . . . . 1.27 111.314 172.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.67 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -92.82 -163.18 1.01 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.76 -0.655 . . . . 0.35999999999999999 109.426 176.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -148.05 45.52 1.08 Allowed 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.524 -1.288 . . . . 1.0 107.524 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.67 HD22 HD13 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -73.9 155.15 39.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.871 -1.513 . . . . 0.34000000000000002 110.485 -173.903 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -103.4 155.42 18.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.077 -1.083 . . . . 0.64000000000000001 108.077 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -47.03 -43.53 7.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 114.02 1.119 . . . . 0.19 114.02 -170.84 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 45' ' ' MET . 39.5 mt-10 -48.93 -50.98 32.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 118.271 0.487 . . . . 0.81999999999999995 110.776 -177.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.605 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 4.2 m-20 -58.86 -38.45 78.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.66000000000000003 111.816 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.628 ' HD1' HD23 ' A' ' 44' ' ' LEU . 54.6 t80 -60.42 -50.11 74.88 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 108.848 -0.797 . . . . 0.23000000000000001 108.848 175.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.806 ' CD2' HD22 ' A' ' 19' ' ' LEU . 1.6 mt -60.54 -33.14 72.23 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.046 -1.434 . . . . 0.17000000000000001 109.99 -174.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.571 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 88.9 mtp -64.68 -57.14 9.84 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.704 0.627 . . . . 1.27 110.464 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 28.6 mt -50.24 -56.78 9.68 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.949 -0.569 . . . . 0.14000000000000001 111.79 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.617 ' HE ' ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -61.44 -43.13 99.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.589 . . . . 2.0800000000000001 110.747 -177.901 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.924 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -47.5 -64.67 0.72 Allowed 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.749 -0.66 . . . . 0.46999999999999997 110.882 172.28 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 5.9 mtt180 -59.24 -43.19 92.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.108 0.48 . . . . 0.68999999999999995 110.557 -168.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.7 84.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.972 -1.013 . . . . 0.41999999999999998 111.77 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.74 -35.99 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.184 0.439 . . . . 0.52000000000000002 112.184 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.924 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 20.3 mt -71.68 -75.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.517 -0.549 . . . . 0.46000000000000002 109.517 -176.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.62 1.41 0.02 OUTLIER Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.135 -1.031 . . . . 0.55000000000000004 113.173 170.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.576 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -81.08 128.68 33.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.342 0.592 . . . . 0.29999999999999999 111.299 -176.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -108.62 39.53 1.98 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.547 -0.751 . . . . 1.9299999999999999 111.956 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -70.17 121.29 17.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.547 -0.909 . . . . 0.93000000000000005 108.547 173.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.655 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.4 p-10 -38.0 -40.62 0.49 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 116.235 1.939 . . . . 0.69999999999999996 116.235 -170.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.433 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.4 p-10 -59.19 -36.4 75.29 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.616 1.098 . . . . 2.3100000000000001 110.131 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -75.06 -33.97 61.76 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.663 -1.153 . . . . 0.13 111.51 176.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.655 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.0 m -75.26 -35.85 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.011 -0.675 . . . . 0.25 110.275 -176.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -70.3 -31.29 68.56 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.171 -0.468 . . . . 1.71 110.082 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' HB2' HD13 ' A' ' 46' ' ' LEU . 83.7 t80 -62.14 -53.75 50.86 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 108.85 -0.796 . . . . 0.17999999999999999 108.85 171.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -50.41 -60.3 3.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.171 -0.922 . . . . 1.4399999999999999 111.156 175.694 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 t -41.87 -51.73 4.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.049 0.843 . . . . 1.3 112.544 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.486 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 5.7 t90 -77.26 -45.41 26.47 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.032 0.382 . . . . 0.23000000000000001 112.032 -177.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.697 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 41.3 t-105 -76.37 -58.39 3.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.45 -0.341 . . . . 0.39000000000000001 111.326 -172.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.521 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 13.8 m120 -54.97 -4.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.236 1.199 . . . . 0.38 114.236 172.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -91.23 -20.19 22.2 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.322 -0.551 . . . . 0.84999999999999998 110.129 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.465 ' HG3' ' H ' ' A' ' 70' ' ' THR . 6.8 ptp180 -112.68 -60.68 1.84 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.927 -0.579 . . . . 1.7 111.622 -178.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.465 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 14.5 m -98.68 -61.3 1.39 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.187 -0.915 . . . . 0.33000000000000002 112.492 -173.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.615 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.5 mtpt 80.69 9.27 1.16 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 114.422 -1.263 . . . . 1.2 111.454 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.695 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 115.052 1.501 . . . . 1.2 115.052 168.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.703 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.8 m-85 . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.292 -0.632 . . . . 0.79000000000000004 109.292 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -167.71 119.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.786 -0.643 . . . . 1.6699999999999999 109.802 169.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.512 ' HA2' ' OE1' ' A' ' 41' ' ' GLU . . . 114.68 -45.69 1.27 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.277 -0.963 . . . . 1.3899999999999999 113.145 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.703 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -80.19 56.48 2.46 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.117 0.784 . . . . 1.8500000000000001 113.117 -172.618 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.5 28.13 72.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.103 -1.046 . . . . 1.05 111.557 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.618 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -50.9 137.9 8.04 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 N-CA-C 113.818 1.044 . . . . 0.42999999999999999 113.818 -175.866 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.29 -9.22 12.84 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 113.769 -1.56 . . . . 0.34999999999999998 109.24 174.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.816 HD13 ' N ' ' A' ' 20' ' ' THR . 3.3 tm? 59.29 172.54 0.07 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.208 -0.906 . . . . 1.1399999999999999 109.601 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.816 ' N ' HD13 ' A' ' 19' ' ' LEU . 7.2 t -60.2 164.51 4.1 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.049 -1.032 . . . . 0.88 110.082 172.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -62.99 -44.26 96.52 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.125 0.787 . . . . 2.1499999999999999 113.125 -163.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.96 -60.73 2.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.855 0.359 . . . . 2.0499999999999998 111.866 -172.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.696 ' OE1' ' HD2' ' A' ' 47' ' ' ARG . 5.5 mt-10 -45.79 -35.87 4.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.438 1.273 . . . . 2.0099999999999998 114.438 -177.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.724 ' CD2' HG21 ' A' ' 40' ' ' VAL . 29.4 t80 -64.56 -58.54 6.08 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.02 -0.425 . . . . 0.22 110.252 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.38 -40.23 64.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.621 0.724 . . . . 1.8 110.936 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.544 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 9.0 mm-40 -68.46 -20.1 64.6 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.596 -0.729 . . . . 1.27 111.983 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.626 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -67.62 -34.05 76.19 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.027 0.442 . . . . 0.16 109.826 172.699 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -59.21 -36.01 74.63 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.671 -0.695 . . . . 2.6299999999999999 109.207 174.749 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -73.88 -38.65 64.35 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.535 -0.757 . . . . 0.96999999999999997 110.88 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -50.55 -42.78 55.77 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 110.18 -0.304 . . . . 0.14000000000000001 110.18 173.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.5 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 3.0 t30 -52.65 -50.34 63.39 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.745 0.653 . . . . 1.78 109.928 175.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.36 -61.06 2.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.035 -0.984 . . . . 0.19 112.358 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.407 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 33.9 t -59.13 -37.4 77.16 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.446 0.906 . . . . 0.27000000000000002 113.446 -169.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.629 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 15.3 mmm180 -93.76 1.8 56.41 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.325 -0.55 . . . . 1.04 111.681 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER 54.73 53.99 9.78 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.208 -0.905 . . . . 1.27 110.433 177.881 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.663 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -137.37 -175.82 4.19 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.326 -0.99 . . . . 0.35999999999999999 108.326 -177.561 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -146.46 77.25 1.47 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.766 0.793 . . . . 1.0 109.998 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.663 HD22 HD13 ' A' ' 36' ' ' LEU . 2.1 pt? -106.04 155.47 19.37 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.925 -1.034 . . . . 0.34000000000000002 110.566 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.5 m -84.63 167.58 16.1 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 114.944 -1.026 . . . . 0.64000000000000001 108.932 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.724 HG21 ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -63.3 -43.12 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 C-N-CA 120.111 -0.635 . . . . 0.19 110.721 -172.882 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' OE1' ' HA2' ' A' ' 14' ' ' GLY . 36.2 mt-10 -49.68 -50.11 44.89 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.623 0.577 . . . . 0.81999999999999995 110.591 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.534 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.3 m-20 -57.23 -38.79 74.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.777 0.288 . . . . 0.66000000000000003 111.777 177.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.786 ' HD1' HD23 ' A' ' 44' ' ' LEU . 3.7 t80 -62.6 -51.57 66.78 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.107 -0.701 . . . . 0.23000000000000001 109.107 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.786 HD23 ' HD1' ' A' ' 43' ' ' PHE . 2.9 mt -57.09 -31.87 65.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.519 -1.218 . . . . 0.17000000000000001 110.165 -176.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.549 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 59.2 mtm -63.11 -58.47 7.15 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.248 0.342 . . . . 1.27 110.505 171.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 16.9 mt -47.47 -55.14 9.67 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.658 -0.701 . . . . 0.14000000000000001 111.946 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.696 ' HD2' ' OE1' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -64.45 -44.77 90.07 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 116.31 -0.404 . . . . 2.0800000000000001 110.462 -178.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.936 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -47.0 -64.06 0.88 Allowed 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.981 -0.554 . . . . 0.46999999999999997 110.252 174.542 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.582 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 23.4 mtt-85 -57.23 -51.05 70.92 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.234 -0.587 . . . . 0.68999999999999995 110.355 -173.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.28 -59.84 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.288 -0.869 . . . . 0.41999999999999998 111.896 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.09 -31.74 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.016 0.747 . . . . 0.52000000000000002 113.016 -177.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.936 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -87.22 -69.53 0.68 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.627 -0.429 . . . . 0.46000000000000002 110.616 -176.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.89 35.43 0.02 OUTLIER Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.428 -0.892 . . . . 0.55000000000000004 113.191 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.582 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -119.05 141.1 49.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.509 -0.552 . . . . 0.29999999999999999 109.509 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -120.91 47.3 1.84 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.636 0.606 . . . . 1.9299999999999999 112.636 -171.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.464 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 15.3 t70 -66.81 126.56 29.41 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.685 -0.857 . . . . 0.93000000000000005 108.685 168.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.648 ' O ' HG22 ' A' ' 60' ' ' VAL . 7.4 p-10 -45.91 -37.59 6.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 115.146 1.536 . . . . 0.69999999999999996 115.146 -169.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -63.12 -40.31 97.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 119.356 0.98 . . . . 2.3100000000000001 109.152 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 62' ' ' PHE . . . -66.17 -32.46 73.91 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.763 -1.562 . . . . 0.13 111.714 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.8 m -76.19 -37.38 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 C-N-CA 119.76 -0.776 . . . . 0.25 109.813 -177.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 24.0 mtpt -64.69 -30.8 71.83 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.378 0.608 . . . . 1.71 109.9 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.486 ' HB2' HD13 ' A' ' 46' ' ' LEU . 89.1 t80 -64.86 -57.71 8.13 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.19 -0.914 . . . . 0.17999999999999999 108.86 173.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.474 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -50.68 -61.47 2.18 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.266 -0.879 . . . . 1.4399999999999999 111.743 178.233 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.471 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 59.0 m -46.63 -42.7 16.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.974 0.731 . . . . 1.3 112.974 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.629 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 6.5 t90 -81.35 -48.85 11.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.038 0.446 . . . . 0.23000000000000001 111.614 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.544 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 25.8 t-105 -74.62 -24.37 58.85 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.931 -0.577 . . . . 0.39000000000000001 111.523 -172.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 6.3 m120 -92.94 -0.13 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.938 0.399 . . . . 0.38 111.7 -176.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -93.86 -15.93 24.56 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.56 0.695 . . . . 0.84999999999999998 109.203 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.5 ptp180 -114.91 -59.28 2.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.81 -1.086 . . . . 1.7 111.02 -173.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.505 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 22.6 m -102.2 -59.28 1.73 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.477 -1.238 . . . . 0.33000000000000002 111.794 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.565 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.6 mtpt 72.27 26.79 2.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.299 -1.319 . . . . 1.2 109.43 -169.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.629 ' HB2' ' OE2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.703 0 CA-C-N 113.388 -1.733 . . . . 1.2 115.316 169.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.614 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-85 . . . . . 0 C--O 1.234 0.255 0 N-CA-C 109.423 -0.584 . . . . 0.79000000000000004 109.423 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.457 ' NE ' ' HB3' ' A' ' 41' ' ' GLU . 27.3 ttt180 -156.53 141.67 17.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.499 0.499 . . . . 1.6699999999999999 110.352 167.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.16 -33.95 2.43 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 121.204 -0.522 . . . . 1.3899999999999999 113.668 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.614 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -76.95 47.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.364 0.505 . . . . 1.8500000000000001 112.364 -176.336 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.16 28.95 73.16 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.338 -0.934 . . . . 1.05 111.088 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.535 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -52.67 130.96 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.836 0 CA-C-O 122.281 1.039 . . . . 0.42999999999999999 113.299 -176.278 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.79 -10.14 14.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 113.364 -1.743 . . . . 0.34999999999999998 108.735 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.036 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.3 tm? 59.89 179.48 0.09 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.998 -1.001 . . . . 1.1399999999999999 108.467 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.866 ' N ' HD13 ' A' ' 19' ' ' LEU . 10.1 t -64.59 171.45 3.27 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 120.663 -1.273 . . . . 0.88 109.545 170.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -66.59 -40.15 88.77 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 121.602 -0.686 . . . . 2.1499999999999999 112.732 -167.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -82.01 -64.73 1.12 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.273 0.472 . . . . 2.0499999999999998 112.273 -169.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 1.036 ' HB2' HD11 ' A' ' 19' ' ' LEU . 55.7 mt-10 -46.67 -32.91 3.84 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.825 1.046 . . . . 2.0099999999999998 113.825 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.678 ' CE2' HG21 ' A' ' 40' ' ' VAL . 40.2 t80 -64.45 -58.06 7.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.098 0.475 . . . . 0.22 110.119 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -55.36 -41.21 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.517 0.675 . . . . 1.8 110.668 173.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.579 ' HB3' ' CZ2' ' A' ' 66' ' ' TRP . 6.5 mm-40 -66.83 -22.24 66.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.548 -0.751 . . . . 1.27 111.781 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -64.16 -35.7 81.65 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.024 0.44 . . . . 0.16 109.882 173.454 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -61.03 -36.2 78.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.629 -0.714 . . . . 2.6299999999999999 109.333 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -70.87 -41.94 70.72 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.236 -0.438 . . . . 0.96999999999999997 110.615 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -49.71 -43.28 47.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.501 -0.318 . . . . 0.14000000000000001 110.838 174.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.658 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 8.8 t30 -56.03 -46.79 78.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.262 0.553 . . . . 1.78 110.444 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.84 -60.27 2.81 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.089 -0.959 . . . . 0.19 112.028 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.4 t -60.66 -34.66 74.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.456 0.91 . . . . 0.27000000000000002 113.456 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 23.2 mmm180 -96.82 5.26 50.92 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.973 -0.691 . . . . 1.04 112.78 -175.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.03 56.59 6.87 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.847 -0.615 . . . . 1.27 110.924 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.675 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -140.77 -176.82 4.8 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.766 -0.827 . . . . 0.35999999999999999 108.766 -177.179 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -139.2 68.57 1.37 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.431 -1.322 . . . . 1.0 107.431 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.675 HD22 HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -101.83 144.42 30.52 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.456 -1.247 . . . . 0.34000000000000002 109.473 -173.043 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 m -85.04 168.63 14.73 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.915 -0.772 . . . . 0.64000000000000001 108.915 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.687 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -60.3 -43.19 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 120.534 -0.467 . . . . 0.19 110.396 -174.568 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.592 ' O ' ' HG3' ' A' ' 45' ' ' MET . 51.8 mt-10 -44.06 -57.35 3.43 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 123.985 0.803 . . . . 0.81999999999999995 111.324 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.58 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.1 m-20 -59.29 -35.95 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.66000000000000003 111.974 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.703 ' HD1' HD23 ' A' ' 44' ' ' LEU . 17.0 t80 -60.85 -55.45 32.92 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.15 -0.685 . . . . 0.23000000000000001 109.15 173.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.721 HD22 ' HG ' ' A' ' 19' ' ' LEU . 2.7 mt -53.39 -34.49 57.89 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 114.159 -1.382 . . . . 0.17000000000000001 109.543 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.592 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 87.0 mtp -63.74 -58.58 6.42 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.581 0.551 . . . . 1.27 111.13 174.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 33.2 mt -48.82 -53.07 20.8 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.823 -0.626 . . . . 0.14000000000000001 111.618 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HD2' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -66.27 -42.43 88.46 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.538 -0.301 . . . . 2.0800000000000001 110.39 179.125 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.873 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -46.21 -62.74 1.21 Allowed 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.986 -0.552 . . . . 0.46999999999999997 110.964 174.636 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 17.8 mtt180 -56.92 -45.99 82.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.116 0.484 . . . . 0.68999999999999995 110.602 -175.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.26 -57.15 14.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.159 -0.928 . . . . 0.41999999999999998 111.152 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.02 83.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.79 -0.641 . . . . 0.52000000000000002 112.593 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.873 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 15.4 mt -77.18 -69.06 0.55 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.515 -0.311 . . . . 0.46000000000000002 110.282 -170.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.31 35.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.124 -1.036 . . . . 0.55000000000000004 113.453 173.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -114.85 139.7 49.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.081 0.467 . . . . 0.29999999999999999 110.23 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -119.12 51.23 1.14 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.146 -0.479 . . . . 1.9299999999999999 112.166 -171.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' O ' HG13 ' A' ' 60' ' ' VAL . 20.6 t70 -74.03 128.73 36.3 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.102 -0.703 . . . . 0.93000000000000005 109.102 167.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.595 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.1 p-10 -49.39 -31.69 10.07 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 115.437 1.643 . . . . 0.69999999999999996 115.437 -170.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -64.0 -44.33 92.96 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.579 -0.897 . . . . 2.3100000000000001 108.579 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.2 -35.86 82.38 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.999 -1.455 . . . . 0.13 111.623 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.595 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.4 m -75.14 -36.85 38.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 119.979 -0.689 . . . . 0.25 110.834 -175.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 80.9 mttt -73.34 -29.35 62.61 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.98 -0.288 . . . . 1.71 110.606 175.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.54 ' HB2' HD13 ' A' ' 46' ' ' LEU . 73.3 t80 -58.64 -54.37 47.84 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.408 -0.96 . . . . 0.17999999999999999 108.408 168.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.82 -59.49 4.05 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.99 -1.005 . . . . 1.4399999999999999 111.386 175.111 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -43.12 -54.7 4.26 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.315 0.487 . . . . 1.3 112.315 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.495 ' CE3' ' HB2' ' A' ' 66' ' ' TRP . 7.8 t90 -70.03 -50.74 38.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.426 . . . . 0.23000000000000001 111.801 -178.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.579 ' CZ2' ' HB3' ' A' ' 26' ' ' GLU . 22.2 t-105 -74.24 -24.58 59.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.225 -0.443 . . . . 0.39000000000000001 111.857 -171.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 6.9 m120 -93.83 1.39 56.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.982 0.42 . . . . 0.38 111.742 -176.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -94.14 -16.4 23.78 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.971 -0.752 . . . . 0.84999999999999998 108.971 172.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.512 ' HG3' ' H ' ' A' ' 70' ' ' THR . 9.3 ptp180 -114.42 -62.64 1.57 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.884 -1.053 . . . . 1.7 111.039 -173.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.512 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 25.9 m -99.31 -57.39 2.17 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.64 -1.163 . . . . 0.33000000000000002 111.659 -174.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.545 ' C ' ' HG3' ' A' ' 72' ' ' MET . 30.1 mtpt 74.35 21.16 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 113.994 -1.457 . . . . 1.2 110.229 -173.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.576 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 115.113 1.523 . . . . 1.2 115.113 170.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.64 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.021 -0.363 . . . . 0.79000000000000004 110.021 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 33.4 ttp-105 -157.94 141.37 15.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 1.6699999999999999 109.919 168.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.85 -32.84 2.41 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.974 -0.631 . . . . 1.3899999999999999 113.706 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.64 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -80.05 47.57 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.477 0.547 . . . . 1.8500000000000001 112.477 -174.616 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.66 28.42 73.16 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.263 -0.97 . . . . 1.05 111.109 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.566 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -53.14 131.4 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 122.069 0.938 . . . . 0.42999999999999999 113.079 -177.232 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.09 -9.58 13.53 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 113.619 -1.628 . . . . 0.34999999999999998 109.429 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.778 HD22 HD22 ' A' ' 44' ' ' LEU . 59.1 tp 54.77 -169.17 0.07 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.327 -0.851 . . . . 1.1399999999999999 109.317 178.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.602 ' H ' ' HG ' ' A' ' 19' ' ' LEU . 9.0 t -77.06 169.14 18.88 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.802 -1.159 . . . . 0.88 109.719 173.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -58.98 -54.25 49.24 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.809 0.338 . . . . 2.1499999999999999 111.021 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.59 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 28.7 t70 -68.28 -63.06 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.933 -0.576 . . . . 2.0499999999999998 111.403 -174.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.436 ' OE2' ' HB2' ' A' ' 72' ' ' MET . 47.5 mt-10 -49.37 -39.7 33.02 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.523 0.934 . . . . 2.0099999999999998 113.523 -174.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.779 ' CE2' HG21 ' A' ' 40' ' ' VAL . 39.1 t80 -64.83 -54.59 28.63 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.235 0.541 . . . . 0.22 110.023 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.17 -41.36 62.54 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 1.8 111.228 171.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.631 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 13.3 mm-40 -67.75 -24.36 65.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.154 -0.476 . . . . 1.27 111.493 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.596 ' HB2' ' CG ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -62.17 -38.55 89.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.997 0.427 . . . . 0.16 110.02 173.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -62.03 -33.28 74.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.582 -0.735 . . . . 2.6299999999999999 109.55 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -76.18 -39.11 55.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.96999999999999997 110.956 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.456 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 11.4 t-160 -49.84 -41.37 44.87 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.355 -0.239 . . . . 0.14000000000000001 110.355 172.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.434 ' HA ' HD12 ' A' ' 36' ' ' LEU . 26.4 t-20 -55.09 -51.36 66.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.905 -0.589 . . . . 1.78 110.063 175.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.89 -60.95 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.135 -0.939 . . . . 0.19 112.396 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.3 t -57.18 -45.91 83.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.855 0.687 . . . . 0.27000000000000002 112.855 -172.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -84.75 -4.01 58.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.659 -0.416 . . . . 1.04 111.355 -177.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp 61.07 26.24 16.19 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.828 -0.624 . . . . 1.27 111.387 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.533 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -103.0 -168.36 1.51 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.565 -0.743 . . . . 0.35999999999999999 110.194 -179.309 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -143.38 105.9 4.45 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 108.991 -0.744 . . . . 1.0 108.991 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 36' ' ' LEU . 1.6 pt? -138.59 160.75 38.83 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.817 -0.629 . . . . 0.34000000000000002 110.505 -175.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -97.04 175.95 6.13 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.864 -1.062 . . . . 0.64000000000000001 108.593 171.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.779 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.54 -39.93 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 C-N-CA 120.16 -0.616 . . . . 0.19 110.837 -172.805 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 40.7 mt-10 -49.06 -48.48 44.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.425 0.453 . . . . 0.81999999999999995 110.725 178.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.497 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.1 m-20 -53.12 -47.33 68.73 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.892 -0.594 . . . . 0.66000000000000003 111.222 176.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.596 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 39.3 t80 -59.33 -52.08 67.18 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-O 121.487 0.66 . . . . 0.23000000000000001 109.558 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.778 HD22 HD22 ' A' ' 19' ' ' LEU . 2.5 mt -56.53 -35.15 67.76 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 114.055 -1.43 . . . . 0.17000000000000001 109.915 -174.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.525 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 78.8 mtm -66.79 -58.55 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.457 0.473 . . . . 1.27 111.643 175.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 62' ' ' PHE . 16.6 mt -49.23 -53.33 22.03 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.459 0.647 . . . . 0.14000000000000001 110.733 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -58.99 -54.57 45.64 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.787 -1.097 . . . . 2.0800000000000001 110.647 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.882 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -39.57 -62.64 0.66 Allowed 'General case' 0 C--O 1.217 -0.645 0 O-C-N 124.021 0.826 . . . . 0.46999999999999997 111.689 176.473 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.545 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 8.4 mtt180 -57.53 -45.81 84.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.899 0.381 . . . . 0.68999999999999995 110.442 -171.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.49 -57.04 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 0.41999999999999998 111.093 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.1 -45.01 61.37 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.261 0.625 . . . . 0.52000000000000002 112.368 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.882 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.4 mt -83.9 -76.55 0.29 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.238 -0.437 . . . . 0.46000000000000002 110.648 -172.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.81 14.14 0.02 OUTLIER Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.205 -0.998 . . . . 0.55000000000000004 113.709 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.545 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -94.01 141.43 28.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.22 0.51 . . . . 0.29999999999999999 110.855 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -123.2 48.76 1.77 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.458 0.54 . . . . 1.9299999999999999 112.458 -176.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.33 127.52 33.33 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.657 -0.868 . . . . 0.93000000000000005 108.657 169.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.622 ' O ' HG22 ' A' ' 60' ' ' VAL . 3.7 p-10 -37.4 -46.63 0.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.793 2.146 . . . . 0.69999999999999996 116.793 -169.21 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -59.18 -37.2 76.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.766 1.166 . . . . 2.3100000000000001 110.104 -176.591 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -72.0 -33.1 67.83 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.172 -1.376 . . . . 0.13 111.863 176.062 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 57' ' ' ASN . 3.6 m -75.2 -37.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.788 -0.765 . . . . 0.25 110.039 -176.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -65.2 -33.65 76.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.307 0.575 . . . . 1.71 110.062 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.513 ' HB2' HD13 ' A' ' 46' ' ' LEU . 75.2 t80 -62.08 -55.52 28.17 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.386 -0.825 . . . . 0.17999999999999999 109.331 173.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -60.65 2.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.235 -0.893 . . . . 1.4399999999999999 111.075 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.1 m -47.68 -35.96 10.37 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.568 0.951 . . . . 1.3 113.568 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.49 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 6.7 t90 -86.24 -48.48 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.179 -0.325 . . . . 0.23000000000000001 111.577 177.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.64 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 31.1 t-105 -74.03 -22.29 59.62 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 122.695 0.398 . . . . 0.39000000000000001 111.834 -170.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -96.37 1.06 51.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.103 0.477 . . . . 0.38 111.25 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.5 m -92.45 -17.7 24.21 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.529 0.681 . . . . 0.84999999999999998 109.683 172.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.52 -65.75 1.15 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.999 -1.0 . . . . 1.7 110.898 -174.391 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 31.8 m -96.15 -58.75 2.0 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.625 -1.17 . . . . 0.33000000000000002 112.185 -173.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.61 ' C ' ' HG3' ' A' ' 72' ' ' MET . 23.9 mtmt 72.99 25.9 2.3 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 124.285 0.991 . . . . 1.2 110.748 -171.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.64 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 115.151 1.538 . . . . 1.2 115.151 171.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.603 ' HB2' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER . . . . . 0 CA--C 1.518 -0.253 0 CA-C-O 120.939 0.399 . . . . 0.79000000000000004 110.203 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.459 ' HG3' ' HG3' ' A' ' 45' ' ' MET . 4.7 tmm_? -170.04 138.83 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.062 -1.088 . . . . 1.6699999999999999 108.062 172.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.438 ' N ' ' HD2' ' A' ' 13' ' ' ARG . . . 89.82 54.61 2.16 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 119.45 -1.357 . . . . 1.3899999999999999 112.982 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.603 ' HD3' ' HB2' ' A' ' 12' ' ' TYR . 10.0 ptm180 -178.61 24.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.702 0.287 . . . . 1.8500000000000001 111.276 -174.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.91 28.66 73.88 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.048 -1.072 . . . . 1.05 110.506 -173.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.618 HG21 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -38.36 139.31 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 113.868 1.062 . . . . 0.42999999999999999 113.868 -179.486 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.51 -13.23 18.74 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.12 -1.4 . . . . 0.34999999999999998 110.191 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.105 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 61.8 175.15 0.12 Allowed 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.917 0.761 . . . . 1.1399999999999999 109.028 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.861 ' N ' HD13 ' A' ' 19' ' ' LEU . 9.3 t -65.89 -169.83 0.07 Allowed 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.143 -0.973 . . . . 0.88 109.48 168.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -73.91 -57.33 4.05 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.126 -0.984 . . . . 2.1499999999999999 112.918 -172.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.2 m-20 -66.87 -64.73 0.79 Allowed 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.976 0.732 . . . . 2.0499999999999998 112.976 -170.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 1.105 ' HB2' HD11 ' A' ' 19' ' ' LEU . 2.1 mp0 -46.14 -31.94 2.67 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.443 1.275 . . . . 2.0099999999999998 114.443 -174.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.646 ' CD2' HG21 ' A' ' 40' ' ' VAL . 32.7 t80 -69.05 -52.34 29.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 118.421 0.555 . . . . 0.22 109.541 -178.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.95 -45.98 82.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.66 -0.7 . . . . 1.8 110.346 171.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.622 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.1 mm-40 -67.45 -24.3 65.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.507 -0.769 . . . . 1.27 111.637 -176.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.673 ' CD2' HG23 ' A' ' 40' ' ' VAL . 2.3 t90 -63.76 -37.54 87.74 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.963 0.411 . . . . 0.16 110.241 174.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 64.6 mtm180 -59.2 -37.73 78.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.744 -0.662 . . . . 2.6299999999999999 109.41 176.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -72.25 -41.16 67.1 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.98 -0.555 . . . . 0.96999999999999997 110.773 174.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 4.6 t60 -47.63 -39.52 17.19 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.396 -0.366 . . . . 0.14000000000000001 110.537 172.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.614 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 31.7 m-80 -58.14 -49.86 75.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 1.78 110.609 176.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.07 -60.67 2.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.472 -0.785 . . . . 0.19 111.537 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -57.6 -32.8 67.55 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.172 0.805 . . . . 0.27000000000000002 113.172 -172.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.415 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 17.4 mmm180 -101.73 1.14 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.682 -0.407 . . . . 1.04 111.904 -177.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.38 26.76 16.5 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 122.868 0.467 . . . . 1.27 111.695 171.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.614 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -106.49 -167.07 1.25 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.14 0.495 . . . . 0.35999999999999999 110.162 178.731 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -144.62 42.66 1.36 Allowed 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.953 -1.129 . . . . 1.0 107.953 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.614 HD22 HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -74.39 151.27 39.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.071 -1.422 . . . . 0.34000000000000002 110.424 -174.78 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.0 m -87.3 169.68 12.09 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.457 -0.572 . . . . 0.64000000000000001 109.457 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' CD2' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -64.62 -44.81 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 C-N-CA 120.54 -0.464 . . . . 0.19 110.415 -173.682 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 45' ' ' MET . 10.4 mt-10 -53.22 -46.12 68.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.953 -0.567 . . . . 0.81999999999999995 110.846 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.1 m-20 -56.32 -42.39 77.58 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.221 -0.192 . . . . 0.66000000000000003 111.277 174.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.659 ' CE1' ' HB3' ' A' ' 23' ' ' GLU . 2.2 t80 -60.3 -54.2 48.56 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.319 0.581 . . . . 0.23000000000000001 109.704 175.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.62 HD22 ' HG ' ' A' ' 19' ' ' LEU . 4.3 mt -55.85 -30.09 60.91 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 114.653 -1.158 . . . . 0.17000000000000001 110.418 -173.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.617 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 73.3 mtm -64.66 -55.64 18.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.796 0.685 . . . . 1.27 110.042 173.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 62' ' ' PHE . 21.4 mt -49.22 -56.15 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.453 -0.794 . . . . 0.14000000000000001 111.712 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.564 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -67.22 -44.26 79.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.505 -0.316 . . . . 2.0800000000000001 111.113 -179.028 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.885 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -41.88 -62.8 0.83 Allowed 'General case' 0 C--O 1.219 -0.53 0 O-C-N 123.38 0.425 . . . . 0.46999999999999997 110.475 171.804 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.617 ' HG3' ' O ' ' A' ' 45' ' ' MET . 23.2 mtt-85 -58.27 -43.33 87.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.907 0.384 . . . . 0.68999999999999995 110.575 -172.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.86 -57.43 12.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 0.41999999999999998 111.326 178.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.86 82.56 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.583 0.586 . . . . 0.52000000000000002 112.583 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.885 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 18.5 mt -78.14 -74.75 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.69 -0.232 . . . . 0.46000000000000002 110.6 -174.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.48 14.32 0.02 OUTLIER Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.114 -1.041 . . . . 0.55000000000000004 113.599 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -95.48 135.21 37.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.232 0.516 . . . . 0.29999999999999999 110.807 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.69 48.08 1.18 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 1.9299999999999999 111.348 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.1 128.35 35.29 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.039 -0.726 . . . . 0.93000000000000005 109.039 172.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.651 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.6 p-10 -39.51 -45.62 1.59 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 116.649 2.092 . . . . 0.69999999999999996 116.649 -170.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.432 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -63.02 -35.69 81.06 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.537 1.062 . . . . 2.3100000000000001 109.957 -177.708 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.02 -36.51 72.42 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.511 -1.222 . . . . 0.13 111.544 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.5 m -75.95 -37.9 34.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 119.948 -0.701 . . . . 0.25 110.432 -176.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 81.5 mttt -70.04 -29.98 67.15 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.384 -0.371 . . . . 1.71 110.681 175.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.623 ' HB2' HD13 ' A' ' 46' ' ' LEU . 75.8 t80 -61.71 -55.12 33.72 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.793 -0.817 . . . . 0.17999999999999999 108.793 169.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -48.56 -58.77 4.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.725 -1.125 . . . . 1.4399999999999999 111.004 176.3 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.9 t -40.41 -47.59 2.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.716 -0.674 . . . . 1.3 112.716 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.566 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.3 t90 -80.53 -47.24 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.902 0.334 . . . . 0.23000000000000001 111.902 -178.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 44.4 t-105 -79.55 -24.77 41.92 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 111.902 0.334 . . . . 0.39000000000000001 111.902 -170.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 6.6 m120 -93.74 -2.51 53.65 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 121.383 0.611 . . . . 0.38 110.729 -176.087 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -93.43 -15.41 25.64 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.6 0.714 . . . . 0.84999999999999998 109.158 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 7.7 ptp180 -113.19 -61.59 1.72 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.072 -0.967 . . . . 1.7 110.675 -176.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.523 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 19.6 m -103.71 -60.73 1.52 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.874 -1.057 . . . . 0.33000000000000002 112.191 -173.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.484 ' C ' ' HG2' ' A' ' 72' ' ' MET . 45.9 mtpt 74.64 26.74 1.39 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.467 -1.242 . . . . 1.2 110.176 -171.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.577 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 13.7 ptt? . . . . . 0 N--CA 1.475 0.783 0 O-C-N 124.584 1.177 . . . . 1.2 113.903 172.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.556 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.5 m-85 . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 108.579 -0.897 . . . . 0.79000000000000004 108.579 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' CD ' ' HB3' ' A' ' 41' ' ' GLU . 5.3 tmm_? -166.91 125.66 1.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.986 -0.746 . . . . 1.6699999999999999 108.986 169.015 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.699 ' HA2' ' OE2' ' A' ' 41' ' ' GLU . . . 109.39 -43.83 1.63 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.183 -1.008 . . . . 1.3899999999999999 113.155 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.556 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -77.69 47.64 0.63 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.048 0.759 . . . . 1.8500000000000001 113.048 -173.279 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 63.42 29.18 73.8 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.346 -0.93 . . . . 1.05 111.249 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.521 HG21 HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -45.29 134.42 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 113.608 0.966 . . . . 0.42999999999999999 113.608 -177.815 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.44 -16.77 14.46 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.05 -1.432 . . . . 0.34999999999999998 109.4 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.089 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.53 173.6 0.14 Allowed 'General case' 0 CA--C 1.544 0.735 0 O-C-N 123.991 0.807 . . . . 1.1399999999999999 109.195 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.872 ' N ' HD13 ' A' ' 19' ' ' LEU . 3.3 t -62.09 158.56 16.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.782 -1.198 . . . . 0.88 110.106 171.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -57.48 -43.66 84.3 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.397 0.517 . . . . 2.1499999999999999 112.397 -171.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.13 -64.32 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.384 0.513 . . . . 2.0499999999999998 112.384 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 1.089 ' HB2' HD11 ' A' ' 19' ' ' LEU . 31.6 mm-40 -50.37 -34.45 24.15 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.324 0.861 . . . . 2.0099999999999998 113.324 -174.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.751 ' CE2' HG21 ' A' ' 40' ' ' VAL . 31.4 t80 -63.57 -58.23 7.62 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.122 0.487 . . . . 0.22 110.005 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -52.88 -43.97 66.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.312 0.577 . . . . 1.8 110.951 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.592 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 8.9 mm-40 -63.55 -24.92 68.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.782 -0.644 . . . . 1.27 111.703 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.589 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -62.9 -37.56 87.43 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.826 0.346 . . . . 0.16 110.287 174.815 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 34.4 mtm180 -59.92 -36.63 77.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.734 -0.666 . . . . 2.6299999999999999 109.499 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -74.37 -37.57 63.43 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.048 -0.524 . . . . 0.96999999999999997 110.773 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.466 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.4 t-160 -49.71 -39.3 36.51 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.692 -0.231 . . . . 0.14000000000000001 110.545 172.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.49 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 17.6 m-80 -56.21 -51.63 67.37 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.531 0.519 . . . . 1.78 110.183 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.94 -61.3 2.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.171 -0.922 . . . . 0.19 112.227 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.416 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 22.2 t -58.35 -36.51 73.54 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.998 0.74 . . . . 0.27000000000000002 112.998 -171.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -91.25 -4.72 55.7 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.595 -0.442 . . . . 1.04 111.764 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 55.51 52.52 11.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.147 -0.933 . . . . 1.27 111.045 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.656 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -134.93 -173.14 3.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.454 -0.794 . . . . 0.35999999999999999 109.311 -176.83 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.07 105.74 4.69 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.656 HD22 HD13 ' A' ' 36' ' ' LEU . 2.1 pt? -138.8 158.29 44.49 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.535 -0.757 . . . . 0.34000000000000002 110.179 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.9 m -93.66 173.64 7.58 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.94 -1.027 . . . . 0.64000000000000001 108.917 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.751 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.06 -44.23 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 C-N-CA 120.028 -0.669 . . . . 0.19 111.013 -169.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.699 ' OE2' ' HA2' ' A' ' 14' ' ' GLY . 16.5 mt-10 -47.63 -49.54 26.89 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.563 0.54 . . . . 0.81999999999999995 110.463 177.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.479 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 39.6 m-20 -57.77 -40.09 79.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.987 -0.551 . . . . 0.66000000000000003 111.063 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.731 ' HD1' HD23 ' A' ' 44' ' ' LEU . 12.7 t80 -62.06 -53.63 52.71 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.395 0.617 . . . . 0.23000000000000001 109.539 175.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.778 HD22 ' HG ' ' A' ' 19' ' ' LEU . 2.7 mt -57.0 -29.81 63.62 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 114.477 -1.238 . . . . 0.17000000000000001 109.937 -175.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 94.7 mtp -62.64 -57.18 11.98 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.477 0.486 . . . . 1.27 110.062 173.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.496 HD13 ' HB2' ' A' ' 62' ' ' PHE . 23.3 mt -52.12 -54.67 27.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.327 -0.851 . . . . 0.14000000000000001 111.746 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.543 HH11 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -63.2 -45.75 90.26 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.769 -0.372 . . . . 2.0800000000000001 110.637 -179.818 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.919 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -45.33 -62.39 1.29 Allowed 'General case' 0 C--O 1.216 -0.672 0 O-C-N 123.587 0.554 . . . . 0.46999999999999997 111.299 174.341 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 4.2 mtt180 -53.88 -49.68 67.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.625 -0.43 . . . . 0.68999999999999995 110.743 -172.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.89 -54.75 43.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.781 -0.645 . . . . 0.41999999999999998 111.038 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.54 -36.68 69.52 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.054 0.761 . . . . 0.52000000000000002 113.054 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.919 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.2 mt -88.64 -65.2 1.04 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.574 -0.285 . . . . 0.46000000000000002 110.51 -173.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.44 17.63 0.02 OUTLIER Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.189 -1.005 . . . . 0.55000000000000004 113.537 171.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.539 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -99.72 135.16 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.133 0.492 . . . . 0.29999999999999999 111.074 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.37 52.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.438 0.637 . . . . 1.9299999999999999 111.142 -176.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.98 129.44 38.12 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.193 -0.912 . . . . 0.93000000000000005 109.388 170.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.663 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.6 p-10 -40.93 -43.77 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 115.434 1.642 . . . . 0.69999999999999996 115.434 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' C ' HD22 ' A' ' 46' ' ' LEU . 4.5 m-20 -61.76 -38.61 88.63 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.067 0.849 . . . . 2.3100000000000001 109.804 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.33 -34.0 67.74 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.161 -1.381 . . . . 0.13 111.746 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.663 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.3 m -78.3 -35.84 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 119.558 -0.857 . . . . 0.25 110.389 -177.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -72.06 -21.07 61.57 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.212 0.529 . . . . 1.71 110.295 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.496 ' HB2' HD13 ' A' ' 46' ' ' LEU . 72.0 t80 -70.55 -55.67 8.34 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.63 -0.878 . . . . 0.17999999999999999 108.63 168.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -48.66 -61.75 1.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.122 -0.945 . . . . 1.4399999999999999 111.464 177.32 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 43.0 p -43.55 -56.66 3.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.842 0.714 . . . . 1.3 112.353 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.466 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 10.1 t90 -64.9 -51.73 60.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.411 -0.359 . . . . 0.23000000000000001 111.672 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 11.2 t-105 -69.27 -24.46 63.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.593 -0.276 . . . . 0.39000000000000001 111.147 -171.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 22.0 m-80 -96.21 2.96 53.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.258 0.552 . . . . 0.38 111.119 -175.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.3 m -93.38 -18.91 21.85 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.891 0.853 . . . . 0.84999999999999998 109.241 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.73 -67.46 1.0 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.657 -1.156 . . . . 1.7 111.039 -175.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.0 m -93.13 -58.64 2.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.602 -1.181 . . . . 0.33000000000000002 111.796 -174.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.574 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.9 mtpt 73.72 22.94 2.44 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 114.563 -1.199 . . . . 1.2 109.661 -172.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.574 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.587 0 CA-C-N 113.857 -1.519 . . . . 1.2 115.096 172.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.536 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.0 m-85 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.899 -0.408 . . . . 0.79000000000000004 109.899 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 9.6 ttp180 -158.52 139.85 13.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.575 -0.739 . . . . 1.6699999999999999 110.155 169.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.17 -30.97 2.92 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.94 -0.648 . . . . 1.3899999999999999 113.889 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.536 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -78.55 47.5 0.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.341 0.497 . . . . 1.8500000000000001 112.341 -176.174 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.73 29.09 74.31 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.319 -0.943 . . . . 1.05 110.913 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.509 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -49.51 129.0 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 N-CA-C 113.39 0.885 . . . . 0.42999999999999999 113.39 -175.718 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.1 -15.66 15.02 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.076 -1.42 . . . . 0.34999999999999998 108.875 174.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.856 HD11 ' HB3' ' A' ' 23' ' ' GLU . 3.4 tm? 61.65 170.12 0.11 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.005 -0.998 . . . . 1.1399999999999999 109.283 175.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.845 ' N ' HD13 ' A' ' 19' ' ' LEU . 9.0 t -58.47 162.38 3.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 120.938 -1.101 . . . . 0.88 110.002 172.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -63.72 -53.56 49.22 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.066 0.395 . . . . 2.1499999999999999 112.066 -167.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.7 m-20 -64.15 -64.14 0.96 Allowed 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.465 -0.334 . . . . 2.0499999999999998 111.455 -175.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.856 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -44.29 -41.07 5.69 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.438 0.903 . . . . 2.0099999999999998 113.438 -176.242 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.7 ' CE2' HG21 ' A' ' 40' ' ' VAL . 45.7 t80 -67.34 -49.82 62.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.412 0.625 . . . . 0.22 110.276 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -58.09 -42.99 86.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.365 -0.834 . . . . 1.8 109.661 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.61 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.8 mm-40 -70.64 -21.73 62.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.099 -0.955 . . . . 1.27 111.301 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CD2' HG23 ' A' ' 40' ' ' VAL . 2.3 t90 -63.12 -38.11 89.89 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.195 0.521 . . . . 0.16 109.835 173.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -60.95 -36.95 80.71 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.292 -0.867 . . . . 2.6299999999999999 109.567 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -74.1 -37.08 64.26 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.02 -0.537 . . . . 0.96999999999999997 110.737 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.443 ' CD2' ' HD2' ' A' ' 43' ' ' PHE . 9.4 t60 -52.66 -40.94 63.34 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.402 -0.363 . . . . 0.14000000000000001 110.117 173.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.618 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 8.9 t30 -54.78 -50.7 67.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.761 -0.654 . . . . 1.78 110.383 175.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.56 -59.79 3.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.387 -0.824 . . . . 0.19 112.077 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.413 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 33.1 t -62.12 -28.56 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.841 0.682 . . . . 0.27000000000000002 112.841 -171.032 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -101.11 1.88 39.71 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.92 -0.488 . . . . 1.04 111.561 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 57.93 27.19 14.32 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.204 0.602 . . . . 1.27 111.591 172.417 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.714 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -106.12 -171.69 1.95 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.693 -0.685 . . . . 0.35999999999999999 109.542 178.177 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -140.63 53.14 1.61 Allowed 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.714 HD22 HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -85.09 149.37 25.6 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.34 -1.3 . . . . 0.34000000000000002 110.272 -172.694 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -88.68 169.99 11.19 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.252 -0.647 . . . . 0.64000000000000001 109.252 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.777 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -64.17 -41.46 92.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 120.579 -0.448 . . . . 0.19 110.969 -170.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' O ' ' HG3' ' A' ' 45' ' ' MET . 46.1 mt-10 -47.08 -54.84 9.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.739 0.65 . . . . 0.81999999999999995 111.225 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.619 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 1.6 m-20 -54.25 -43.49 70.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.37 -0.377 . . . . 0.66000000000000003 111.855 176.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.75 ' HD1' HD23 ' A' ' 44' ' ' LEU . 13.3 t80 -59.16 -52.84 63.97 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.274 0.559 . . . . 0.23000000000000001 109.698 177.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.824 HD22 ' HG ' ' A' ' 19' ' ' LEU . 2.7 mt -54.64 -34.99 63.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.504 -1.226 . . . . 0.17000000000000001 109.744 -177.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.598 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 79.5 mtp -64.35 -57.47 9.27 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.325 0.391 . . . . 1.27 110.608 173.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 21.7 mt -46.88 -54.62 9.57 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.729 -0.669 . . . . 0.14000000000000001 111.752 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.584 HH11 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.85 -42.7 90.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.178 -0.465 . . . . 2.0800000000000001 110.341 -178.793 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.905 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.4 m170 -48.3 -65.23 0.6 Allowed 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.402 -0.817 . . . . 0.46999999999999997 110.655 173.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 45' ' ' MET . 4.5 mtt180 -57.2 -47.9 80.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.36 0.6 . . . . 0.68999999999999995 110.042 -173.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.26 -57.58 9.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.212 -1.358 . . . . 0.41999999999999998 112.187 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.06 -31.09 55.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 112.956 0.725 . . . . 0.52000000000000002 112.956 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.905 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 22.7 mt -76.3 -74.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.135 -0.626 . . . . 0.46000000000000002 110.087 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.97 35.71 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.325 -0.941 . . . . 0.55000000000000004 112.825 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -119.69 138.92 52.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.464 -0.569 . . . . 0.29999999999999999 109.464 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -124.6 49.99 1.76 Allowed 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.574 -0.451 . . . . 1.9299999999999999 111.888 -172.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -72.47 134.55 45.38 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.557 -0.905 . . . . 0.93000000000000005 108.557 170.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.44 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.0 p-10 -46.2 -39.28 9.52 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 115.623 1.712 . . . . 0.69999999999999996 115.623 -168.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.5 p30 -61.34 -42.75 99.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.521 1.055 . . . . 2.3100000000000001 109.416 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -67.57 -32.49 73.29 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.262 -1.336 . . . . 0.13 111.983 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.44 HG22 ' HA ' ' A' ' 57' ' ' ASN . 1.7 m -79.03 -36.56 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 119.411 -0.915 . . . . 0.25 110.133 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -71.67 -20.65 61.91 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.224 0.535 . . . . 1.71 109.941 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.592 ' HB2' HD13 ' A' ' 46' ' ' LEU . 88.6 t80 -71.69 -57.37 4.43 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.554 -0.906 . . . . 0.17999999999999999 108.554 167.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.2 tmt_? -47.41 -62.23 1.53 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.127 -0.942 . . . . 1.4399999999999999 111.839 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.471 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 7.7 p -45.39 -57.04 4.35 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 123.546 0.529 . . . . 1.3 112.375 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.485 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 10.7 t90 -61.06 -51.46 69.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.62 0.248 . . . . 0.23000000000000001 111.563 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.61 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 12.0 t-105 -72.05 -26.16 62.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.308 -0.406 . . . . 0.39000000000000001 111.616 -172.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 16.8 m-80 -93.52 2.65 56.35 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.201 0.524 . . . . 0.38 111.183 -175.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 55.3 m -93.49 -18.14 22.63 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.693 0.758 . . . . 0.84999999999999998 109.5 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -114.73 -67.78 0.97 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.775 -1.102 . . . . 1.7 110.684 -174.906 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 m -92.11 -58.74 2.3 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.535 -1.211 . . . . 0.33000000000000002 112.007 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.598 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.0 mtpt 74.72 21.94 2.07 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 114.444 -1.253 . . . . 1.2 110.166 -172.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.598 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.635 0 O-C-N 124.945 1.403 . . . . 1.2 114.395 172.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.566 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 113.082 0.771 . . . . 0.79000000000000004 113.082 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HA ' HG11 ' A' ' 17' ' ' VAL . 14.1 ttp180 -171.5 136.62 1.0 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.35 -0.841 . . . . 1.6699999999999999 109.806 168.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.82 -28.11 2.87 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.871 -0.68 . . . . 1.3899999999999999 113.907 174.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.587 ' HD3' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -80.67 51.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.328 0.585 . . . . 1.8500000000000001 111.791 -177.502 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.94 28.23 73.21 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.302 -0.952 . . . . 1.05 111.117 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.527 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 1.2 m -56.05 129.83 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.876 0 CA-C-O 122.356 1.074 . . . . 0.42999999999999999 113.345 -174.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.02 -9.49 15.08 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 113.164 -1.834 . . . . 0.34999999999999998 108.327 172.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.974 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.01 172.09 0.13 Allowed 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.819 -1.082 . . . . 1.1399999999999999 109.088 175.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.839 ' N ' HD13 ' A' ' 19' ' ' LEU . 8.1 t -61.08 169.29 2.08 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.041 -1.037 . . . . 0.88 109.866 172.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.58 -55.88 20.27 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 113.293 0.849 . . . . 2.1499999999999999 113.293 -165.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.6 -56.47 4.79 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.097 -0.241 . . . . 2.0499999999999998 111.639 -171.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.974 ' HB2' HD11 ' A' ' 19' ' ' LEU . 32.6 mm-40 -45.92 -38.97 8.14 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.934 1.087 . . . . 2.0099999999999998 113.934 -176.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.753 ' CE2' HG21 ' A' ' 40' ' ' VAL . 40.6 t80 -64.22 -57.64 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.116 0.484 . . . . 0.22 110.175 -178.091 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.94 -41.74 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.816 -0.629 . . . . 1.8 110.741 171.307 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.598 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 7.0 mm-40 -72.24 -18.51 61.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.752 -0.658 . . . . 1.27 112.229 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.662 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -65.28 -35.44 81.04 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.648 -0.501 . . . . 0.16 109.648 172.34 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 47.6 mtm180 -65.15 -31.67 72.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.575 -0.739 . . . . 2.6299999999999999 109.473 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -77.21 -35.44 55.62 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.676 -0.41 . . . . 0.96999999999999997 110.685 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.55 ' CD2' ' HD2' ' A' ' 43' ' ' PHE . 9.4 t60 -53.12 -40.08 63.93 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.617 -0.512 . . . . 0.14000000000000001 109.617 172.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.699 ' ND2' ' HA ' ' A' ' 37' ' ' ASP . 24.2 t-20 -51.61 -53.13 41.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.524 -0.762 . . . . 1.78 109.997 172.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.11 -60.72 2.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.033 -0.985 . . . . 0.19 112.345 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.411 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 35.0 t -60.5 -32.33 71.34 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.68 0.622 . . . . 0.27000000000000002 112.68 -170.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -96.42 -0.33 49.38 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.668 -0.413 . . . . 1.04 111.69 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 61.51 21.86 12.41 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.047 -0.524 . . . . 1.27 111.668 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.637 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -102.48 -168.46 1.53 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.145 -0.687 . . . . 0.35999999999999999 109.145 176.466 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.699 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 24.3 t70 -148.06 47.44 1.07 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.025 -1.102 . . . . 1.0 108.025 177.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.637 HD22 HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -71.49 152.8 42.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.6 -1.636 . . . . 0.34000000000000002 110.787 -175.513 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 m -86.18 168.53 13.9 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.806 -0.442 . . . . 0.64000000000000001 109.806 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.753 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.04 -45.03 97.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.604 -0.438 . . . . 0.19 111.372 -172.341 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' A' ' 45' ' ' MET . 40.1 mt-10 -48.62 -49.97 34.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.678 0.611 . . . . 0.81999999999999995 110.382 -179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.627 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 19.2 m-20 -54.28 -44.91 72.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.551 . . . . 0.66000000000000003 111.524 176.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.67 ' HD1' HD23 ' A' ' 44' ' ' LEU . 18.0 t80 -60.2 -52.96 63.08 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.318 0.58 . . . . 0.23000000000000001 109.665 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.72 HD22 ' HG ' ' A' ' 19' ' ' LEU . 2.6 mt -56.19 -33.76 65.59 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.517 -1.219 . . . . 0.17000000000000001 109.8 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 92.6 mtp -65.35 -57.57 8.05 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.389 0.431 . . . . 1.27 110.841 173.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 21.8 mt -47.1 -51.02 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 0.14000000000000001 111.473 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.793 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -72.06 -40.19 68.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.997 -0.547 . . . . 2.0800000000000001 110.675 -179.175 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.879 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -46.77 -63.48 1.01 Allowed 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 123.288 0.635 . . . . 0.46999999999999997 110.774 173.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.537 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 7.0 mtt180 -55.38 -51.03 68.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.069 0.462 . . . . 0.68999999999999995 110.619 -173.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.45 -53.4 54.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.811 -1.086 . . . . 0.41999999999999998 111.2 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.445 ' HB2' ' NH2' ' A' ' 47' ' ' ARG . . . -63.22 -41.37 99.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.121 0.786 . . . . 0.52000000000000002 113.121 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.879 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -83.63 -70.65 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.996 -0.282 . . . . 0.46000000000000002 110.46 -172.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.85 33.73 0.02 OUTLIER Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.238 -0.982 . . . . 0.55000000000000004 113.24 174.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.537 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -114.16 139.76 49.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.478 -0.425 . . . . 0.29999999999999999 110.185 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -119.7 46.7 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.305 0.483 . . . . 1.9299999999999999 112.305 -171.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 60' ' ' VAL . 12.6 t70 -75.27 134.28 41.13 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.539 -0.541 . . . . 0.93000000000000005 109.539 171.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.493 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.4 p-10 -43.26 -42.94 4.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 115.819 1.785 . . . . 0.69999999999999996 115.819 -170.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' C ' HD22 ' A' ' 46' ' ' LEU . 9.4 p30 -63.15 -37.9 89.04 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.554 -0.858 . . . . 2.3100000000000001 109.57 -176.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -70.03 -35.33 74.24 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.067 -1.424 . . . . 0.13 111.981 175.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.2 m -76.96 -35.94 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 119.681 -0.808 . . . . 0.25 110.206 -176.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HA ' ' OG ' ' A' ' 64' ' ' SER . 32.9 mtpt -74.27 -20.08 60.27 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.252 0.548 . . . . 1.71 110.375 175.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 78.2 t80 -70.82 -52.87 17.72 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.691 -0.855 . . . . 0.17999999999999999 108.691 168.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -50.35 -60.79 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.273 -0.876 . . . . 1.4399999999999999 111.218 177.352 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' A' ' 61' ' ' LYS . 29.2 p -46.89 -44.67 19.85 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.679 0.622 . . . . 1.3 112.679 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.488 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 22.1 t90 -73.15 -54.92 7.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.602 0.239 . . . . 0.23000000000000001 111.434 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.598 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 10.8 t-105 -70.04 -25.64 63.65 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 122.897 0.479 . . . . 0.39000000000000001 111.471 -170.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.497 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 26.1 m-80 -94.53 0.3 55.16 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.061 0.458 . . . . 0.38 111.807 -174.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.3 m -92.44 -16.16 26.24 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.949 0.881 . . . . 0.84999999999999998 109.306 174.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -65.83 1.15 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.211 -1.359 . . . . 1.7 110.669 -175.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.9 m -94.94 -61.07 1.55 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.761 -1.109 . . . . 0.33000000000000002 112.214 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.525 ' C ' ' HG3' ' A' ' 72' ' ' MET . 34.6 mtpt 77.68 29.0 0.53 Allowed 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 114.265 -1.334 . . . . 1.2 109.787 -172.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.586 ' HB3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.366 0 CA-C-N 113.626 -1.624 . . . . 1.2 115.117 173.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.603 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.2 m-85 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.702 -0.481 . . . . 0.79000000000000004 109.702 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.495 ' NE ' ' HB3' ' A' ' 41' ' ' GLU . 12.8 ttt180 -151.44 146.4 25.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 1.6699999999999999 109.722 164.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.433 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 80.28 -31.78 2.34 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.147 -0.549 . . . . 1.3899999999999999 114.254 173.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.603 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -79.23 47.24 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.31 0.485 . . . . 1.8500000000000001 112.31 -175.899 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.31 29.74 75.44 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.355 -0.926 . . . . 1.05 110.903 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -50.16 127.24 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 N-CA-C 113.633 0.975 . . . . 0.42999999999999999 113.633 -174.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.53 -14.59 15.24 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 113.643 -1.617 . . . . 0.34999999999999998 108.748 174.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.992 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.72 176.14 0.14 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.01 -0.996 . . . . 1.1399999999999999 108.923 175.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.873 ' N ' HD13 ' A' ' 19' ' ' LEU . 13.3 t -62.43 174.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 120.969 -1.082 . . . . 0.88 109.883 171.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.5 -57.16 7.91 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.527 0.566 . . . . 2.1499999999999999 112.527 -168.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.43 -63.42 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.881 0.326 . . . . 2.0499999999999998 111.881 -174.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.992 ' HB2' HD11 ' A' ' 19' ' ' LEU . 14.8 mm-40 -46.24 -36.63 6.31 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.325 1.231 . . . . 2.0099999999999998 114.325 -171.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.78 ' CE2' HG21 ' A' ' 40' ' ' VAL . 25.1 t80 -64.55 -53.56 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.795 0.807 . . . . 0.22 109.274 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -59.13 -39.09 81.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.845 -1.07 . . . . 1.8 110.559 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.543 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 12.1 mm-40 -71.17 -19.08 62.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.502 -0.772 . . . . 1.27 111.519 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.1 t90 -66.2 -36.62 83.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.741 -0.466 . . . . 0.16 109.741 172.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.76 -40.64 80.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.474 -0.785 . . . . 2.6299999999999999 109.423 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.24 -41.11 70.57 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.984 -0.553 . . . . 0.96999999999999997 110.767 174.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CD2' ' HD2' ' A' ' 43' ' ' PHE . 8.0 t60 -50.09 -42.02 49.38 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.483 -0.326 . . . . 0.14000000000000001 110.297 174.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.638 ' OD1' ' HA ' ' A' ' 37' ' ' ASP . 9.5 t30 -55.75 -47.83 76.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.557 -0.747 . . . . 1.78 110.547 176.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.49 -59.67 3.19 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.225 -0.898 . . . . 0.19 111.824 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.5 t -60.49 -35.41 75.84 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.243 0.831 . . . . 0.27000000000000002 113.243 -171.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.526 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 25.3 mmm180 -94.0 3.98 54.57 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.418 -0.513 . . . . 1.04 111.717 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 56.75 30.78 18.26 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.813 -0.63 . . . . 1.27 111.728 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.654 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -110.53 -168.48 1.32 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.644 -0.707 . . . . 0.35999999999999999 109.454 176.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.638 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 14.5 t70 -145.74 59.0 1.25 Allowed 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.868 -1.16 . . . . 1.0 107.868 177.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.654 HD22 HD13 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -87.96 150.39 23.48 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.297 -1.32 . . . . 0.34000000000000002 110.035 -173.514 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.9 m -86.34 168.66 13.65 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.863 -0.335 . . . . 0.64000000000000001 110.129 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.78 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.34 -44.45 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 C-N-CA 120.963 -0.295 . . . . 0.19 110.944 -173.308 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.495 ' HB3' ' NE ' ' A' ' 13' ' ' ARG . 48.1 mt-10 -46.93 -53.11 12.98 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 123.888 0.742 . . . . 0.81999999999999995 110.83 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.562 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 5.1 m-20 -52.75 -47.29 67.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.596 -0.729 . . . . 0.66000000000000003 111.379 176.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.721 ' HD1' HD23 ' A' ' 44' ' ' LEU . 13.0 t80 -58.25 -54.36 47.88 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.209 0.528 . . . . 0.23000000000000001 109.974 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.794 HD22 ' HG ' ' A' ' 19' ' ' LEU . 3.1 mt -53.16 -35.57 59.91 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 114.534 -1.212 . . . . 0.17000000000000001 109.96 -176.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.565 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 68.6 mtm -68.22 -52.89 29.09 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.422 0.451 . . . . 1.27 110.75 175.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 29.3 mt -48.41 -54.2 14.9 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.301 -0.409 . . . . 0.14000000000000001 111.503 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.605 HH11 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -66.01 -43.13 88.59 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 116.224 -0.444 . . . . 2.0800000000000001 110.462 -179.455 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.851 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.4 m170 -45.3 -62.7 1.16 Allowed 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.757 -0.656 . . . . 0.46999999999999997 111.191 173.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 45' ' ' MET . 2.3 mtt180 -58.86 -45.98 88.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.161 0.505 . . . . 0.68999999999999995 110.888 -174.034 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.28 -56.84 16.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.05 -0.977 . . . . 0.41999999999999998 111.044 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.16 78.91 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.51 0.559 . . . . 0.52000000000000002 112.51 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.851 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.3 mt -77.83 -71.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.053 -0.259 . . . . 0.46000000000000002 110.508 -171.083 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.5 46.65 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.049 -1.072 . . . . 0.55000000000000004 113.283 174.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.516 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -124.14 141.17 52.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.733 -0.469 . . . . 0.29999999999999999 109.733 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -116.78 43.34 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.516 0.562 . . . . 1.9299999999999999 112.516 -171.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -66.58 127.46 32.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.976 -0.75 . . . . 0.93000000000000005 108.976 169.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.593 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.4 p-10 -47.62 -34.89 8.51 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 115.412 1.634 . . . . 0.69999999999999996 115.412 -170.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.69 -41.56 98.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 119.146 0.884 . . . . 2.3100000000000001 108.93 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.03 75.71 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.996 -1.456 . . . . 0.13 111.99 176.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.593 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.1 m -75.48 -36.46 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 119.642 -0.823 . . . . 0.25 110.14 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HA ' ' OG ' ' A' ' 64' ' ' SER . 17.0 mtpp -72.67 -23.46 60.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 116.08 -0.509 . . . . 1.71 110.608 175.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.442 ' HB2' HD13 ' A' ' 46' ' ' LEU . 84.6 t80 -67.6 -55.4 13.53 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.421 -0.955 . . . . 0.17999999999999999 108.421 169.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.65 -60.99 2.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.838 -1.074 . . . . 1.4399999999999999 111.851 177.871 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.42 ' OG ' ' HA ' ' A' ' 61' ' ' LYS . 15.6 p -45.92 -47.4 16.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.75 0.648 . . . . 1.3 112.75 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.601 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.6 t90 -73.19 -50.2 23.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.457 -0.338 . . . . 0.23000000000000001 111.556 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.543 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 11.3 t-105 -73.61 -25.82 60.5 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.589 0.356 . . . . 0.39000000000000001 111.588 -172.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 7.0 m120 -92.12 -1.79 56.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.921 0.391 . . . . 0.38 111.566 -176.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -94.54 -15.55 24.03 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 121.62 0.724 . . . . 0.84999999999999998 109.265 174.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.1 ptp180 -114.25 -59.93 1.95 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.081 -0.963 . . . . 1.7 111.158 -174.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.483 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 10.7 m -105.04 -59.26 1.77 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.557 -1.201 . . . . 0.33000000000000002 112.019 -172.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.533 ' C ' ' HG3' ' A' ' 72' ' ' MET . 49.2 mtpt 75.72 26.4 1.08 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 114.519 -1.219 . . . . 1.2 109.642 -173.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.533 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.393 0 CA-C-N 113.418 -1.719 . . . . 1.2 115.057 172.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.591 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 114.504 1.298 . . . . 0.79000000000000004 114.504 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HG2' ' N ' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -167.76 141.89 3.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.088 -1.414 . . . . 1.6699999999999999 109.329 163.507 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.506 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 79.81 -28.7 2.45 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 120.973 -0.632 . . . . 1.3899999999999999 114.055 173.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.565 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -77.89 47.14 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.143 0.497 . . . . 1.8500000000000001 111.944 -177.368 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.44 31.63 77.25 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.694 -0.963 . . . . 1.05 110.694 -175.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.591 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -53.1 128.91 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 CA-C-O 122.176 0.988 . . . . 0.42999999999999999 113.104 -176.806 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.89 -11.27 14.69 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 113.342 -1.753 . . . . 0.34999999999999998 108.672 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.866 HD13 ' N ' ' A' ' 20' ' ' THR . 3.5 tm? 61.29 171.34 0.11 Allowed 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.736 -1.12 . . . . 1.1399999999999999 109.143 175.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.866 ' N ' HD13 ' A' ' 19' ' ' LEU . 9.0 t -64.05 178.29 0.68 Allowed 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.762 -1.211 . . . . 0.88 110.386 172.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.51 -57.3 7.61 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.95 0.722 . . . . 2.1499999999999999 112.95 -168.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.58 -60.18 2.41 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 111.81 0.3 . . . . 2.0499999999999998 111.81 -171.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.797 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -45.61 -39.58 7.87 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.208 1.188 . . . . 2.0099999999999998 114.208 -175.91 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.754 ' CE2' HG21 ' A' ' 40' ' ' VAL . 35.7 t80 -66.89 -56.06 11.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.356 0.526 . . . . 0.22 110.203 -177.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -52.74 -38.92 61.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.603 0.716 . . . . 1.8 110.888 171.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.646 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 10.1 mm-40 -74.97 -20.82 59.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.838 -0.619 . . . . 1.27 111.938 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.645 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.72 -35.68 81.84 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.488 -0.56 . . . . 0.16 109.488 173.437 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 17.6 mtm180 -60.84 -40.41 92.76 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.328 -0.851 . . . . 2.6299999999999999 108.73 176.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.37 -37.29 74.55 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.185 -0.461 . . . . 0.96999999999999997 110.906 174.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 4.5 t60 -51.24 -41.15 60.14 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.286 -0.265 . . . . 0.14000000000000001 110.286 174.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.532 ' HA ' HD12 ' A' ' 36' ' ' LEU . 30.8 m-80 -55.5 -50.17 70.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.164 0.507 . . . . 1.78 110.299 175.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.88 -60.57 2.91 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.394 -0.821 . . . . 0.19 111.903 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -61.22 -37.86 84.56 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.88 0.696 . . . . 0.27000000000000002 112.88 -171.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -93.26 0.5 57.05 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.39 -0.524 . . . . 1.04 111.614 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 59.79 27.96 17.35 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.373 0.606 . . . . 1.27 111.926 171.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.71 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -108.09 -170.45 1.69 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.455 -0.793 . . . . 0.35999999999999999 109.649 176.184 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -141.64 49.15 1.61 Allowed 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 107.919 -1.141 . . . . 1.0 107.919 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.71 HD22 HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -80.17 149.62 30.45 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 113.976 -1.465 . . . . 0.34000000000000002 110.513 -173.023 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 m -84.89 168.57 14.92 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.333 -0.618 . . . . 0.64000000000000001 109.333 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.754 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.48 -44.33 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 C-N-CA 120.589 -0.444 . . . . 0.19 110.515 -175.154 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 44.9 mt-10 -49.06 -49.71 40.1 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 123.644 0.59 . . . . 0.81999999999999995 110.8 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.557 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 39.2 m-20 -54.55 -44.83 73.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.49 . . . . 0.66000000000000003 110.982 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.587 ' HD1' HD23 ' A' ' 44' ' ' LEU . 4.3 t80 -60.12 -54.25 48.11 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.192 0.52 . . . . 0.23000000000000001 109.699 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.683 HD21 HG22 ' A' ' 40' ' ' VAL . 3.1 mt -55.1 -30.8 60.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.618 -1.174 . . . . 0.17000000000000001 110.214 -175.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.552 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 73.3 mtm -71.4 -56.64 5.57 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.643 0.589 . . . . 1.27 111.713 173.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 22.8 mt -48.56 -52.5 22.44 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.438 0.637 . . . . 0.14000000000000001 110.398 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -56.34 -56.84 16.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.709 -1.132 . . . . 2.0800000000000001 110.594 175.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.866 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.06 -62.34 0.65 Allowed 'General case' 0 C--O 1.212 -0.876 0 O-C-N 124.349 1.031 . . . . 0.46999999999999997 111.954 175.684 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 45' ' ' MET . 24.4 mtt-85 -59.83 -39.86 86.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.971 0.415 . . . . 0.68999999999999995 110.973 -172.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.45 -53.76 50.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.525 -0.761 . . . . 0.41999999999999998 110.866 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.74 -49.31 77.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.044 0.757 . . . . 0.52000000000000002 113.044 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.866 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 11.6 mt -80.23 -70.23 0.54 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.493 -0.321 . . . . 0.46000000000000002 110.741 -170.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.7 35.87 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 119.817 -1.182 . . . . 0.55000000000000004 113.755 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -115.66 144.67 43.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.293 0.547 . . . . 0.29999999999999999 110.247 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -118.91 47.9 1.57 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.245 -0.434 . . . . 1.9299999999999999 112.162 -173.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.49 126.46 29.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.813 -0.81 . . . . 0.93000000000000005 108.813 167.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.614 ' O ' HG22 ' A' ' 60' ' ' VAL . 4.5 p-10 -41.03 -45.03 2.55 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 115.264 1.579 . . . . 0.69999999999999996 115.264 -172.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' C ' HD22 ' A' ' 46' ' ' LEU . 17.0 m-20 -64.24 -34.84 79.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 119.267 0.94 . . . . 2.3100000000000001 109.869 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -69.11 -35.81 76.84 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.483 -1.235 . . . . 0.13 111.324 174.11 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.7 m -74.38 -36.45 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 119.947 -0.701 . . . . 0.25 109.997 -177.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -67.27 -36.15 80.98 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.997 -0.547 . . . . 1.71 110.17 175.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.523 ' HB2' HD13 ' A' ' 46' ' ' LEU . 74.7 t80 -60.78 -54.75 41.37 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.958 -0.756 . . . . 0.17999999999999999 108.958 173.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.6 OUTLIER -51.01 -60.29 3.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.25 -0.886 . . . . 1.4399999999999999 111.145 176.54 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.8 m -43.21 -43.89 4.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.875 0.695 . . . . 1.3 112.875 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.552 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.6 t90 -81.33 -48.52 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.029 0.442 . . . . 0.23000000000000001 111.704 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.646 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 40.3 t-105 -77.53 -23.34 50.18 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.149 -0.478 . . . . 0.39000000000000001 111.925 -171.015 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 7.4 m120 -95.22 -0.32 53.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.119 0.485 . . . . 0.38 111.29 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.0 m -93.32 -14.99 26.25 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.646 0.736 . . . . 0.84999999999999998 109.147 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.7 ptp180 -114.08 -61.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.015 -0.993 . . . . 1.7 110.864 -175.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.534 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 24.2 m -100.75 -59.69 1.66 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.756 -1.111 . . . . 0.33000000000000002 111.925 -174.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.604 ' C ' ' HG3' ' A' ' 72' ' ' MET . 40.8 mtpt 76.73 17.86 1.73 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 114.302 -1.317 . . . . 1.2 110.191 -172.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.604 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.501 0 CA-C-N 113.813 -1.539 . . . . 1.2 114.979 171.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.55 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-85 . . . . . 0 CA--C 1.517 -0.314 0 N-CA-C 110.154 -0.313 . . . . 0.79000000000000004 110.154 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 26.2 ttp85 -160.12 146.27 15.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.623 -0.717 . . . . 1.6699999999999999 109.798 170.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.27 45.68 93.86 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.002 -0.618 . . . . 1.3899999999999999 112.907 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.55 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -153.92 40.29 0.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.572 0.701 . . . . 1.8500000000000001 110.489 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.75 27.47 70.79 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.419 -0.896 . . . . 1.05 110.927 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.452 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -56.79 128.54 17.35 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.837 0 CA-C-O 122.146 0.974 . . . . 0.42999999999999999 112.865 -177.113 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.81 -8.24 14.93 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 113.343 -1.753 . . . . 0.34999999999999998 108.424 173.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.864 HD13 ' N ' ' A' ' 20' ' ' THR . 3.4 tm? 59.95 173.46 0.09 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 114.64 -1.163 . . . . 1.1399999999999999 109.215 175.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.864 ' N ' HD13 ' A' ' 19' ' ' LEU . 15.3 t -61.33 172.95 0.98 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.78 -1.2 . . . . 0.88 109.941 172.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.71 -57.19 7.63 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.237 0.828 . . . . 2.1499999999999999 113.237 -168.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.39 -62.79 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.093 0.473 . . . . 2.0499999999999998 111.697 -174.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.709 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -45.49 -40.93 9.03 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.768 1.396 . . . . 2.0099999999999998 114.768 -175.349 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.812 ' CE2' HG21 ' A' ' 40' ' ' VAL . 36.5 t80 -65.29 -58.14 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.663 0.665 . . . . 0.22 110.507 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.05 -49.01 52.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.429 0.633 . . . . 1.8 111.232 172.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.56 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 42.3 mt-10 -71.15 -15.99 62.52 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.62 -0.718 . . . . 1.27 112.202 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.641 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -62.87 -38.03 89.26 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.575 -0.528 . . . . 0.16 109.575 168.686 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 68.6 mtm180 -60.98 -35.11 75.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.769 -0.65 . . . . 2.6299999999999999 109.427 177.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -74.62 -36.64 62.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.763 -0.653 . . . . 0.96999999999999997 110.508 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 13.5 t60 -53.54 -40.3 65.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.14000000000000001 110.196 173.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.602 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 23.9 m-80 -53.26 -52.68 58.23 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.071 0.463 . . . . 1.78 110.444 173.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.2 -60.56 3.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.2 -0.909 . . . . 0.19 112.087 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.414 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 23.8 t -64.96 -26.89 68.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.306 0.854 . . . . 0.27000000000000002 113.306 -169.143 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -99.99 1.64 42.74 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.268 -0.573 . . . . 1.04 112.245 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.563 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 54.47 58.4 4.95 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.444 -0.798 . . . . 1.27 110.759 177.172 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.656 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -145.26 -179.33 6.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.153 -0.931 . . . . 0.35999999999999999 108.524 -177.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -137.51 46.1 2.15 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.841 -1.17 . . . . 1.0 107.841 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.656 HD22 HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -75.54 148.32 39.0 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 113.778 -1.555 . . . . 0.34000000000000002 110.129 -176.161 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -87.98 170.84 10.78 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.473 -0.566 . . . . 0.64000000000000001 109.473 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.812 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.03 -42.78 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 120.634 -0.426 . . . . 0.19 110.824 -172.817 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 45' ' ' MET . 32.1 mt-10 -48.46 -50.54 30.97 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.765 0.666 . . . . 0.81999999999999995 110.776 -178.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.503 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.9 m-20 -55.07 -46.65 75.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.66000000000000003 111.953 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.647 ' HD1' HD23 ' A' ' 44' ' ' LEU . 4.9 t80 -57.58 -53.39 58.72 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.42 0.629 . . . . 0.23000000000000001 109.917 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.792 HD21 HG22 ' A' ' 40' ' ' VAL . 3.3 mt -52.03 -35.18 46.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.157 -1.383 . . . . 0.17000000000000001 109.961 -176.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.535 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 53.1 mtm -65.85 -57.27 8.3 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.827 0.705 . . . . 1.27 110.819 175.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 20.2 mt -48.0 -56.02 8.67 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.724 -0.671 . . . . 0.14000000000000001 111.113 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.619 ' NE ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -61.74 -50.14 73.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.158 -0.928 . . . . 2.0800000000000001 110.94 -179.86 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.865 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.6 m-70 -40.08 -61.0 0.94 Allowed 'General case' 0 C--O 1.216 -0.666 0 O-C-N 123.759 0.662 . . . . 0.46999999999999997 111.134 173.07 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 45' ' ' MET . 17.3 mtt180 -58.63 -43.25 89.65 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.911 0.386 . . . . 0.68999999999999995 110.888 -172.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.23 -55.85 28.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.658 -0.701 . . . . 0.41999999999999998 111.121 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.91 71.48 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.085 0.554 . . . . 0.52000000000000002 112.279 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.865 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.6 mt -80.0 -71.15 0.47 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.209 -0.45 . . . . 0.46000000000000002 110.894 -171.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.27 47.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.632 -0.794 . . . . 0.55000000000000004 112.388 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.514 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -129.11 146.44 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.667 -0.314 . . . . 0.29999999999999999 110.2 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -123.77 48.29 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.795 0.665 . . . . 1.9299999999999999 112.795 -171.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.16 130.43 43.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.318 -0.623 . . . . 0.93000000000000005 109.318 167.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.668 ' O ' HG22 ' A' ' 60' ' ' VAL . 4.1 p-10 -44.26 -43.51 7.35 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 115.227 1.566 . . . . 0.69999999999999996 115.227 -171.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 46' ' ' LEU . 34.9 m-20 -65.85 -35.32 80.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 119.343 0.974 . . . . 2.3100000000000001 109.318 -177.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.0 -34.84 78.64 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.316 -1.311 . . . . 0.13 111.327 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.9 m -75.23 -39.04 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 C-N-CA 120.068 -0.653 . . . . 0.25 110.2 -177.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -64.2 -36.99 85.86 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.995 -0.548 . . . . 1.71 109.832 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.458 ' HB2' HD13 ' A' ' 46' ' ' LEU . 73.5 t80 -61.0 -56.45 20.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.162 -0.926 . . . . 0.17999999999999999 109.177 174.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -49.44 -61.5 2.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.132 -0.94 . . . . 1.4399999999999999 111.428 177.387 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.457 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 62.9 m -49.84 -47.86 51.37 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.841 0.682 . . . . 1.3 112.841 -177.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.499 ' CE3' ' HB2' ' A' ' 66' ' ' TRP . 7.5 t90 -68.84 -50.92 45.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.968 0.413 . . . . 0.23000000000000001 111.414 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.56 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 20.6 t-105 -73.59 -24.46 60.07 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.117 -0.492 . . . . 0.39000000000000001 112.07 -172.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 5.8 m120 -92.26 -0.94 57.38 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 120.99 0.424 . . . . 0.38 111.611 -175.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.6 m -94.63 -16.11 23.45 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.635 0.731 . . . . 0.84999999999999998 109.162 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 8.0 ptp180 -113.91 -63.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.953 -1.022 . . . . 1.7 111.322 -173.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.449 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 44.6 m -100.95 -56.59 2.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.164 -0.926 . . . . 0.33000000000000002 111.596 -175.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.597 ' C ' ' HG3' ' A' ' 72' ' ' MET . 47.4 mtpt 74.41 22.61 2.12 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.226 -1.352 . . . . 1.2 110.239 -172.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.597 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.651 0 CA-C-N 114.014 -1.448 . . . . 1.2 114.824 172.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.611 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.7 m-85 . . . . . 0 CA--C 1.515 -0.375 0 CA-C-O 120.817 0.342 . . . . 0.79000000000000004 110.103 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 25.4 ttp180 -161.06 146.62 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.46 -0.791 . . . . 1.6699999999999999 109.569 168.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 67.18 34.82 87.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.482 -0.866 . . . . 1.3899999999999999 112.695 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.611 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -145.19 37.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.189 0.518 . . . . 1.8500000000000001 110.98 179.462 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.32 28.16 71.74 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.394 -0.907 . . . . 1.05 110.87 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.464 HG21 HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -52.39 132.6 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 CA-C-O 121.922 0.868 . . . . 0.42999999999999999 112.713 -178.462 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.97 -7.06 14.57 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 113.905 -1.498 . . . . 0.34999999999999998 108.963 175.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.869 HD22 HD22 ' A' ' 44' ' ' LEU . 64.0 tp 57.49 -172.95 0.08 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 114.76 -1.109 . . . . 1.1399999999999999 109.988 177.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.586 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -78.21 161.13 27.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.66 -0.867 . . . . 0.88 108.66 170.697 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -58.52 -57.06 14.6 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.897 0.703 . . . . 2.1499999999999999 112.897 -166.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -64.99 -57.79 7.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.613 -0.267 . . . . 2.0499999999999998 111.232 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.61 ' HB3' HD21 ' A' ' 19' ' ' LEU . 5.2 mp0 -46.87 -42.9 18.2 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.925 0.713 . . . . 2.0099999999999998 112.925 -177.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.931 ' CE2' HG21 ' A' ' 40' ' ' VAL . 25.9 t80 -65.68 -53.44 41.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.311 0.577 . . . . 0.22 110.082 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -52.08 -44.99 64.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.788 -0.642 . . . . 1.8 110.859 171.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.484 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 10.4 mm-40 -68.65 -19.83 64.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.865 -0.607 . . . . 1.27 111.836 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -63.73 -38.15 90.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.751 -0.463 . . . . 0.16 109.751 172.676 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -63.38 -33.54 75.77 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.434 -0.803 . . . . 2.6299999999999999 109.614 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.8 -40.57 63.29 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.265 -0.425 . . . . 0.96999999999999997 110.465 173.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.429 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 9.9 t-160 -50.44 -43.69 55.19 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.254 -0.43 . . . . 0.14000000000000001 111.114 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.495 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 7.0 t30 -58.5 -45.48 88.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.17 0.509 . . . . 1.78 109.901 177.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.26 -61.04 2.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.297 -0.865 . . . . 0.19 112.181 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -57.93 -45.47 86.52 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.644 0.609 . . . . 0.27000000000000002 112.644 -172.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.535 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 22.5 mmm180 -84.1 -3.38 58.04 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.698 -0.401 . . . . 1.04 111.523 -176.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 58.59 32.72 22.46 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.684 -0.689 . . . . 1.27 111.504 173.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.634 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.99 -167.15 1.16 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.88 -0.6 . . . . 0.35999999999999999 109.86 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -141.21 107.34 5.21 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.69 -0.855 . . . . 1.0 108.69 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.634 HD22 HD13 ' A' ' 36' ' ' LEU . 1.8 pt? -141.79 159.1 42.91 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.537 0.684 . . . . 0.34000000000000002 111.204 -178.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -93.95 178.05 5.78 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.605 -1.179 . . . . 0.64000000000000001 108.53 172.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.931 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -69.12 -41.12 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 C-N-CA 119.825 -0.75 . . . . 0.19 110.412 -173.583 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.507 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 25.0 mt-10 -49.28 -48.11 46.27 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.68 0.612 . . . . 0.81999999999999995 110.35 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 5.4 m-20 -56.4 -43.59 79.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.463 -0.789 . . . . 0.66000000000000003 111.59 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.541 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 27.3 t80 -60.67 -51.63 68.58 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.451 0.643 . . . . 0.23000000000000001 109.78 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.869 HD22 HD22 ' A' ' 19' ' ' LEU . 2.0 mt -56.57 -32.31 65.06 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 114.191 -1.368 . . . . 0.17000000000000001 109.931 -173.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.628 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 69.3 mtm -65.21 -58.58 5.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.842 0.714 . . . . 1.27 111.016 175.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 62' ' ' PHE . 16.1 mt -50.52 -54.0 25.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.982 -0.554 . . . . 0.14000000000000001 111.084 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 47' ' ' ARG . 6.1 ttt180 -58.08 -54.39 47.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.284 -0.871 . . . . 2.0800000000000001 110.823 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.895 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -41.92 -63.07 0.79 Allowed 'General case' 0 C--O 1.216 -0.699 0 O-C-N 123.828 0.705 . . . . 0.46999999999999997 111.474 175.497 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' A' ' 45' ' ' MET . 21.1 mtt-85 -57.0 -46.48 82.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.763 0.316 . . . . 0.68999999999999995 110.712 -171.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.36 -54.23 49.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.504 -0.771 . . . . 0.41999999999999998 111.066 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.08 78.81 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.679 0.622 . . . . 0.52000000000000002 112.679 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.895 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 17.8 mt -82.69 -72.62 0.44 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.363 -0.381 . . . . 0.46000000000000002 110.244 -175.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.08 13.47 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.491 -0.862 . . . . 0.55000000000000004 113.013 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -90.39 135.78 33.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.928 0.394 . . . . 0.29999999999999999 111.275 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -112.07 45.62 1.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.492 0.553 . . . . 1.9299999999999999 112.492 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.69 ' O ' HG13 ' A' ' 60' ' ' VAL . 9.5 t70 -61.0 158.29 13.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.104 -1.073 . . . . 0.93000000000000005 108.104 166.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.498 ' HA ' HG22 ' A' ' 60' ' ' VAL . 13.1 p-10 -79.4 -39.46 32.44 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 117.56 -1.656 . . . . 0.69999999999999996 111.199 -164.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.446 ' C ' HD22 ' A' ' 46' ' ' LEU . 9.4 m-20 -62.86 -30.27 71.38 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.826 -0.805 . . . . 2.3100000000000001 108.826 -178.166 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.2 -40.31 62.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.498 -1.228 . . . . 0.13 111.626 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 56' ' ' ASP . 7.7 m -73.59 -33.91 40.38 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.204 0 C-N-CA 119.992 -0.683 . . . . 0.25 110.195 -178.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -71.58 -33.82 69.39 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.137 -0.483 . . . . 1.71 110.121 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.477 ' HB2' HD13 ' A' ' 46' ' ' LEU . 76.1 t80 -60.06 -54.9 40.47 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.06 -0.719 . . . . 0.17999999999999999 109.06 171.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.65 -59.1 4.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.748 -1.115 . . . . 1.4399999999999999 110.778 175.922 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 t -40.87 -51.26 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.008 0.817 . . . . 1.3 112.156 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.535 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 7.7 t90 -76.67 -51.1 12.14 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.831 0.308 . . . . 0.23000000000000001 111.831 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.621 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 32.4 t-105 -73.8 -23.02 59.63 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.374 0.27 . . . . 0.39000000000000001 111.72 -169.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.542 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 4.5 m120 -92.03 -3.31 55.96 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.272 0.558 . . . . 0.38 110.685 -174.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 m -92.49 -17.09 24.98 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 121.483 0.659 . . . . 0.84999999999999998 109.846 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.48 -64.04 1.36 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.84 -1.073 . . . . 1.7 111.212 -175.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.8 m -103.58 -57.66 2.0 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.897 -1.047 . . . . 0.33000000000000002 112.644 -172.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.553 ' C ' ' HG3' ' A' ' 72' ' ' MET . 49.1 mtpt 75.94 21.98 1.51 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 114.756 -1.111 . . . . 1.2 110.588 -176.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.621 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.315 0 CA-C-N 114.629 -1.169 . . . . 1.2 113.452 176.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.586 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.3 m-85 . . . . . 0 CA--C 1.514 -0.419 0 CA-C-O 121.192 0.52 . . . . 0.79000000000000004 110.79 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 14' ' ' GLY . 32.3 ttp180 -168.13 158.53 10.31 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.819 -1.082 . . . . 1.6699999999999999 108.816 171.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 67.8 21.07 72.9 Favored Glycine 0 N--CA 1.454 -0.112 0 C-N-CA 120.514 -0.85 . . . . 1.3899999999999999 112.142 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.586 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -139.99 -166.57 2.12 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.921 -0.77 . . . . 1.8500000000000001 108.921 178.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.35 57.29 1.57 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.455 -0.879 . . . . 1.05 111.168 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.418 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -72.08 125.36 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-O 122.211 1.005 . . . . 0.42999999999999999 112.706 -178.531 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.01 -3.41 20.1 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 113.264 -1.789 . . . . 0.34999999999999998 108.145 172.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.767 HD22 HD22 ' A' ' 44' ' ' LEU . 52.4 tp 55.28 -99.86 0.1 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 113.912 -1.494 . . . . 1.1399999999999999 110.987 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.593 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 41.4 p -128.44 -176.04 3.7 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.459 -0.791 . . . . 0.88 109.531 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -79.56 -39.23 32.32 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 119.678 -0.809 . . . . 2.1499999999999999 109.185 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -86.97 -62.95 1.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.594 -0.73 . . . . 2.0499999999999998 112.414 -171.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HG2' ' NH1' ' A' ' 47' ' ' ARG . 30.1 mp0 -58.9 -37.47 76.68 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 112.89 0.7 . . . . 2.0099999999999998 112.89 -173.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.783 ' CE2' HG21 ' A' ' 40' ' ' VAL . 40.2 t80 -60.18 -57.35 13.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.59 -0.522 . . . . 0.22 109.59 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -45.47 -46.24 13.54 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.301 0.572 . . . . 1.8 111.695 167.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.549 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.8 mm-40 -73.19 -18.72 61.23 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.296 0.48 . . . . 1.27 112.296 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.592 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.9 t90 -62.34 -39.19 92.29 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 109.231 -0.655 . . . . 0.16 109.231 171.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 44.4 mtm180 -61.41 -37.16 82.48 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.008 -0.996 . . . . 2.6299999999999999 109.835 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.06 -33.16 63.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.318 -0.401 . . . . 0.96999999999999997 110.341 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.474 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 6.0 t60 -56.66 -36.18 69.25 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.788 -0.449 . . . . 0.14000000000000001 109.788 173.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.557 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 14.4 m120 -56.99 -50.6 72.18 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.601 0.563 . . . . 1.78 110.031 175.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.12 -60.52 2.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.218 -0.901 . . . . 0.19 112.214 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 t -62.6 -42.32 99.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.47 0.545 . . . . 0.27000000000000002 112.47 -169.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -87.15 4.14 43.53 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.575 -0.45 . . . . 1.04 112.102 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 54.14 55.79 7.81 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 114.975 -1.011 . . . . 1.27 111.605 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.673 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -143.14 -178.33 5.79 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.647 -0.872 . . . . 0.35999999999999999 108.647 -177.894 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' HA ' HD22 ' A' ' 31' ' ' ASN . 26.8 t0 -136.58 36.54 2.68 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.781 -1.192 . . . . 1.0 107.781 -176.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.673 HD22 HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -62.52 145.63 53.77 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 113.745 -1.57 . . . . 0.34000000000000002 110.518 -176.812 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.8 m -81.83 177.45 8.87 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.007 -0.542 . . . . 0.64000000000000001 109.949 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.783 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -71.25 -44.77 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 C-N-CA 120.106 -0.637 . . . . 0.19 110.836 -172.613 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' A' ' 45' ' ' MET . 46.3 mt-10 -49.21 -46.93 46.46 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 123.404 0.44 . . . . 0.81999999999999995 110.381 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.5 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.3 m-20 -55.17 -45.2 75.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.958 -0.564 . . . . 0.66000000000000003 111.889 176.313 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.516 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 13.5 t80 -58.12 -50.6 72.94 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.558 0.694 . . . . 0.23000000000000001 109.412 176.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.767 HD22 HD22 ' A' ' 19' ' ' LEU . 2.5 mt -60.4 -27.25 67.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.308 -1.315 . . . . 0.17000000000000001 109.842 -174.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 30.0 mtm -66.81 -59.46 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 1.27 110.112 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 62' ' ' PHE . 13.8 mt -52.04 -49.57 63.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.011 -0.995 . . . . 0.14000000000000001 111.216 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.553 ' CD ' HD11 ' A' ' 19' ' ' LEU . 7.1 ttt85 -60.94 -60.33 3.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.056 -0.974 . . . . 2.0800000000000001 110.933 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.911 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 2.1 m-70 -42.71 -57.51 2.71 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 123.953 0.783 . . . . 0.46999999999999997 111.315 177.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.537 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 21.9 mtt-85 -56.89 -50.4 72.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.603 -0.439 . . . . 0.68999999999999995 110.735 -171.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.34 -53.08 62.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.53 -0.759 . . . . 0.41999999999999998 111.262 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.27 -36.02 72.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 112.773 0.657 . . . . 0.52000000000000002 112.773 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.911 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 16.4 mt -88.0 -74.45 0.45 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 121.079 -0.248 . . . . 0.46000000000000002 110.671 -174.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.87 35.9 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.867 -0.682 . . . . 0.55000000000000004 112.427 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.537 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -117.11 133.44 56.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 0.29999999999999999 110.324 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -114.24 47.71 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.239 0.542 . . . . 1.9299999999999999 111.378 -173.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 12.0 t70 -66.71 123.16 19.34 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.193 -1.04 . . . . 0.93000000000000005 108.193 168.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -45.54 -36.74 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.922 1.453 . . . . 0.69999999999999996 114.922 -169.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.427 ' C ' HD22 ' A' ' 46' ' ' LEU . 10.5 m-20 -64.2 -40.54 96.29 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.625 -0.88 . . . . 2.3100000000000001 108.625 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.98 81.15 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.134 -1.394 . . . . 0.13 111.634 176.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 m -76.3 -35.66 27.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.291 0 C-N-CA 119.745 -0.782 . . . . 0.25 110.118 -176.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -72.84 -30.34 63.94 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 110.149 -0.315 . . . . 1.71 110.149 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' HB2' HD13 ' A' ' 46' ' ' LEU . 82.5 t80 -59.03 -55.81 30.37 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.562 -0.903 . . . . 0.17999999999999999 108.562 168.474 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.579 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.1 tmt_? -49.13 -59.74 3.39 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.314 -0.857 . . . . 1.4399999999999999 111.753 174.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.579 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 13.8 t -45.44 -50.55 12.45 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 123.555 0.534 . . . . 1.3 111.994 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.471 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 9.6 t90 -72.74 -51.98 16.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.53 -0.305 . . . . 0.23000000000000001 111.506 -178.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.631 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 33.8 t-105 -71.6 -29.27 64.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.361 -0.381 . . . . 0.39000000000000001 111.655 -171.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.574 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 5.2 m120 -85.27 -0.06 53.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.218 0.532 . . . . 0.38 111.292 -176.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.4 m -93.04 -15.73 25.81 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.691 0.758 . . . . 0.84999999999999998 109.142 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -115.34 -66.18 1.11 Allowed 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.624 -1.171 . . . . 1.7 110.797 -173.082 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 24.0 m -105.82 -55.99 2.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.638 -1.164 . . . . 0.33000000000000002 112.377 -172.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.622 ' C ' ' HG3' ' A' ' 72' ' ' MET . 57.1 mtpt 77.67 11.14 2.14 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 114.747 -1.115 . . . . 1.2 111.468 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.631 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.548 0 O-C-N 124.45 1.094 . . . . 1.2 113.124 176.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.906 0 N-CA-C 111.702 -0.559 . . . . 1.46 111.702 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.654 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -70.7 -111.62 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.677 0.621 . . . . 1.21 112.677 179.336 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.626 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 15.2 m-85 -162.32 -161.7 0.76 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.063 -1.088 . . . . 0.79000000000000004 108.063 -167.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.554 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 13.7 ttp180 -163.34 144.2 9.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.499 0.499 . . . . 1.6699999999999999 110.329 165.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.4 -32.39 2.58 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.087 -0.578 . . . . 1.3899999999999999 113.627 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.626 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -80.21 44.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.483 0.549 . . . . 1.8500000000000001 112.483 -175.606 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.05 28.1 73.49 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.245 -0.979 . . . . 1.05 111.058 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.608 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -46.79 130.47 3.3 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.688 0 N-CA-C 113.674 0.99 . . . . 0.42999999999999999 113.674 -175.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.54 -19.03 13.8 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 113.702 -1.59 . . . . 0.34999999999999998 109.409 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.992 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 63.33 171.02 0.16 Allowed 'General case' 0 CA--C 1.545 0.766 0 O-C-N 123.964 0.79 . . . . 1.1399999999999999 109.492 173.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.853 ' N ' HD13 ' A' ' 19' ' ' LEU . 5.1 t -60.22 162.84 5.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.094 -1.004 . . . . 0.88 110.398 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.28 -50.6 72.99 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.282 0.475 . . . . 2.1499999999999999 112.282 -167.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.78 -64.55 0.86 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.413 -0.358 . . . . 2.0499999999999998 111.766 -174.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.992 ' HB2' HD11 ' A' ' 19' ' ' LEU . 26.2 mm-40 -46.95 -36.58 7.83 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.475 1.287 . . . . 2.0099999999999998 114.475 -173.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.701 ' CE2' HG21 ' A' ' 40' ' ' VAL . 39.1 t80 -65.16 -54.11 34.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.323 -0.621 . . . . 0.22 109.323 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -42.78 70.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.563 -0.744 . . . . 1.8 111.111 170.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.55 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 17.7 mm-40 -70.52 -18.79 62.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.998 -0.547 . . . . 1.27 111.374 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -67.03 -36.85 83.02 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.054 0.454 . . . . 0.16 109.83 174.195 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -62.47 -31.23 71.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.456 -0.793 . . . . 2.6299999999999999 109.225 175.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.06 -41.64 58.56 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.643 -0.708 . . . . 0.96999999999999997 110.541 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.516 ' CD2' ' HD2' ' A' ' 43' ' ' PHE . 9.6 t60 -51.54 -43.26 62.28 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.344 -0.389 . . . . 0.14000000000000001 110.263 173.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.608 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 5.2 t30 -55.51 -48.03 75.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.698 -0.683 . . . . 1.78 110.152 177.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.31 -59.63 3.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.002 -0.999 . . . . 0.19 112.004 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.406 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 37.2 t -61.0 -43.91 98.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.679 0.622 . . . . 0.27000000000000002 112.679 -172.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -84.75 3.9 35.31 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.667 -0.413 . . . . 1.04 111.686 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp 60.24 26.62 16.09 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.784 -0.643 . . . . 1.27 111.487 170.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.734 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.54 -170.82 1.72 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.562 -0.744 . . . . 0.35999999999999999 109.95 178.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.469 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 27.2 t70 -143.15 66.26 1.32 Allowed 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.298 -1.371 . . . . 1.0 107.298 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.734 HD22 HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -98.55 151.21 20.89 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.414 -1.266 . . . . 0.34000000000000002 110.425 -169.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -85.24 166.84 16.19 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.097 -0.501 . . . . 0.64000000000000001 109.771 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.77 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -64.26 -42.86 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 120.796 -0.362 . . . . 0.19 110.627 -173.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.638 ' O ' ' HG3' ' A' ' 45' ' ' MET . 37.4 mt-10 -45.89 -53.72 9.37 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 123.951 0.782 . . . . 0.81999999999999995 110.696 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 10.5 m-20 -54.04 -45.64 71.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.808 -0.633 . . . . 0.66000000000000003 111.562 177.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.727 ' HD1' HD23 ' A' ' 44' ' ' LEU . 17.3 t80 -58.92 -53.68 55.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.216 0.531 . . . . 0.23000000000000001 109.882 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.77 HD21 HG22 ' A' ' 40' ' ' VAL . 2.6 mt -53.9 -35.24 61.4 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 114.605 -1.18 . . . . 0.17000000000000001 109.947 -177.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 83.3 mtp -64.6 -57.8 8.09 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.592 0.557 . . . . 1.27 110.607 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 29.5 mt -47.0 -51.49 17.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.421 -0.808 . . . . 0.14000000000000001 111.435 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.57 HH22 ' HA ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -71.49 -44.22 65.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.318 -0.401 . . . . 2.0800000000000001 111.365 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.856 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -44.24 -60.05 2.08 Favored 'General case' 0 C--O 1.215 -0.761 0 O-C-N 123.489 0.493 . . . . 0.46999999999999997 110.596 173.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 45' ' ' MET . 11.6 mtt180 -59.62 -48.36 81.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.935 0.398 . . . . 0.68999999999999995 111.037 -175.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.63 -56.76 17.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 0.41999999999999998 111.148 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.59 -49.26 78.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.768 -0.651 . . . . 0.52000000000000002 112.724 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.856 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 16.4 mt -77.9 -72.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.638 -0.425 . . . . 0.46000000000000002 110.499 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.44 43.38 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.051 -1.071 . . . . 0.55000000000000004 113.279 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -122.61 140.76 52.46 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.364 -0.606 . . . . 0.29999999999999999 109.364 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.54 45.18 2.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.64 0.607 . . . . 1.9299999999999999 112.64 -170.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -67.9 128.12 35.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.758 -0.46 . . . . 0.93000000000000005 109.758 170.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.538 ' O ' HG22 ' A' ' 60' ' ' VAL . 5.4 p-10 -44.61 -40.11 5.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 115.19 1.552 . . . . 0.69999999999999996 115.19 -170.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -61.45 -42.46 98.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.929 0.871 . . . . 2.3100000000000001 108.759 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -66.02 -35.34 80.31 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.841 -1.527 . . . . 0.13 111.779 177.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.8 m -76.24 -38.81 34.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 119.945 -0.702 . . . . 0.25 110.249 -176.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -69.01 -30.26 68.61 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.226 -0.443 . . . . 1.71 110.251 176.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.502 ' HB2' HD13 ' A' ' 46' ' ' LEU . 73.0 t80 -63.03 -53.94 46.0 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.803 -0.814 . . . . 0.17999999999999999 108.803 171.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.532 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.3 tmt_? -47.54 -61.07 2.1 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.905 -1.043 . . . . 1.4399999999999999 111.096 176.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.532 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 55.7 m -47.8 -52.27 19.45 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.675 0.62 . . . . 1.3 112.675 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.553 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 10.8 t90 -65.13 -51.91 58.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.753 0.311 . . . . 0.23000000000000001 111.362 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 7.4 t-105 -72.23 -23.51 61.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.39000000000000001 111.566 -172.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 6.6 m120 -94.15 -1.28 54.47 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 112.14 0.422 . . . . 0.38 112.14 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.4 m -93.92 -17.11 23.34 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.971 0.891 . . . . 0.84999999999999998 108.725 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 9.4 ptm180 -114.09 -58.14 2.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.4 -1.273 . . . . 1.7 111.528 -172.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 m -106.07 -60.73 1.6 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.808 -1.087 . . . . 0.33000000000000002 111.844 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.475 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.1 mtpt 76.25 24.67 1.09 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 114.426 -1.261 . . . . 1.2 109.453 -173.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.699 ' HB3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER 48.94 -166.19 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 123.935 1.826 . . . . 1.2 115.465 170.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ASP . . . -141.81 70.49 1.34 Allowed 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 110.639 -2.982 . . . . 0.93000000000000005 106.142 173.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.57 ' HA ' HH22 ' A' ' 47' ' ' ARG . 2.2 m-20 -41.34 80.21 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 O-C-N 125.532 1.77 . . . . 2.3700000000000001 113.246 -168.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ALA . 2.4 m-20 57.23 26.32 12.12 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.014 -0.994 . . . . 2.3799999999999999 111.912 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.436 ' CE2' ' HB2' ' A' ' 74' ' ' ASN . 59.2 m-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.712 -0.661 . . . . 1.7 110.107 174.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.926 -0.469 . . . . 1.46 111.926 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.557 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -141.76 -143.09 0.15 Allowed 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.527 -0.916 . . . . 1.21 108.527 173.006 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.597 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 -145.33 -168.27 2.91 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.779 -0.452 . . . . 0.79000000000000004 109.779 -175.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -159.46 140.8 12.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.926 -0.579 . . . . 1.6699999999999999 109.693 167.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.87 -34.01 2.81 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.943 -0.646 . . . . 1.3899999999999999 113.797 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.597 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -78.33 47.68 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.772 0.656 . . . . 1.8500000000000001 112.772 -175.403 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.89 26.66 73.84 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.217 -0.992 . . . . 1.05 111.248 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.582 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -49.3 131.5 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.65 0 N-CA-C 113.66 0.985 . . . . 0.42999999999999999 113.66 -176.85 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.13 -8.67 14.4 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 113.506 -1.679 . . . . 0.34999999999999998 108.79 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.788 HD22 HD22 ' A' ' 44' ' ' LEU . 49.0 tp 58.74 -179.44 0.07 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.701 -1.136 . . . . 1.1399999999999999 111.016 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.608 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 1.1 t -65.64 167.6 8.83 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.327 -0.62 . . . . 0.88 109.327 172.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.79 -58.92 5.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.099 0.778 . . . . 2.1499999999999999 113.099 -164.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.86 -48.85 19.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.776 0.322 . . . . 2.0499999999999998 111.208 -171.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.499 ' HB3' HD21 ' A' ' 19' ' ' LEU . 7.3 mp0 -46.73 -42.36 16.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.094 -0.957 . . . . 2.0099999999999998 112.826 -177.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.741 ' CE2' HG21 ' A' ' 40' ' ' VAL . 36.1 t80 -66.32 -57.93 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.22 110.36 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -52.51 -40.04 61.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.575 0.702 . . . . 1.8 111.082 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -77.6 -17.01 58.23 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 122.059 -0.4 . . . . 1.27 110.97 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.596 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -62.4 -33.58 75.05 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.297 -0.631 . . . . 0.16 109.297 168.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 56.7 mtm180 -63.08 -30.83 71.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.498 -0.773 . . . . 2.6299999999999999 109.027 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -76.67 -35.21 58.1 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.96999999999999997 111.552 169.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.469 ' CD2' ' HD2' ' A' ' 43' ' ' PHE . 3.8 t60 -54.28 -40.93 68.3 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.888 -0.782 . . . . 0.14000000000000001 108.888 173.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.578 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 2.6 t30 -53.22 -49.51 66.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.304 -0.862 . . . . 1.78 110.236 172.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.23 -60.1 2.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.92 -1.036 . . . . 0.19 112.36 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.1 t -59.89 -36.68 77.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.653 -0.703 . . . . 0.27000000000000002 112.816 -172.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.467 ' HD3' ' CD2' ' A' ' 65' ' ' TRP . 21.7 mmm180 -97.94 4.65 49.46 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.263 -0.575 . . . . 1.04 111.991 -175.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 59.82 24.16 13.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.148 0.499 . . . . 1.27 111.873 173.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.641 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -104.7 -173.4 2.3 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.754 -0.657 . . . . 0.35999999999999999 109.235 176.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.435 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 31.4 t70 -139.18 32.29 2.14 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 122.248 1.023 . . . . 1.0 108.389 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.641 HD22 HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -59.45 148.38 33.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.723 -1.58 . . . . 0.34000000000000002 111.432 -175.164 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -86.79 172.31 10.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.873 -0.603 . . . . 0.64000000000000001 109.528 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.781 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -67.36 -42.55 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 120.311 -0.556 . . . . 0.19 111.473 -171.479 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.604 ' O ' ' HG3' ' A' ' 45' ' ' MET . 31.4 mt-10 -48.94 -51.57 29.49 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.448 0.468 . . . . 0.81999999999999995 110.171 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.7 m-20 -53.89 -42.66 68.91 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.787 -0.642 . . . . 0.66000000000000003 112.065 176.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.635 ' HD1' HD23 ' A' ' 44' ' ' LEU . 46.8 t80 -61.31 -52.14 65.94 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.304 0.573 . . . . 0.23000000000000001 109.584 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.788 HD22 HD22 ' A' ' 19' ' ' LEU . 2.2 mt -55.75 -34.36 65.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.239 -1.346 . . . . 0.17000000000000001 109.491 -175.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.604 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 79.1 mtp -62.93 -60.13 3.88 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.374 0.421 . . . . 1.27 111.284 173.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 20.5 mt -49.38 -52.03 31.04 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.644 -0.707 . . . . 0.14000000000000001 111.77 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.468 HH21 ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -66.93 -41.57 86.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.068 -0.515 . . . . 2.0800000000000001 109.828 -178.588 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.902 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -48.76 -65.16 0.61 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.83 -0.623 . . . . 0.46999999999999997 110.591 173.357 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.633 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 6.4 mtt180 -57.4 -52.35 65.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.349 0.595 . . . . 0.68999999999999995 109.977 -172.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.58 18.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.473 -1.239 . . . . 0.41999999999999998 111.46 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.547 ' HB1' ' ND2' ' A' ' 74' ' ' ASN . . . -65.94 -36.75 84.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.021 0.748 . . . . 0.52000000000000002 113.021 -178.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.902 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 19.7 mt -80.59 -71.79 0.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.554 -0.458 . . . . 0.46000000000000002 110.904 -174.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.06 43.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.612 -0.804 . . . . 0.55000000000000004 112.509 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.633 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -128.89 140.65 51.59 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.471 -0.566 . . . . 0.29999999999999999 109.471 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -121.85 44.23 2.63 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.085 0.402 . . . . 1.9299999999999999 112.085 -171.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.79 134.89 49.05 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.154 -0.684 . . . . 0.93000000000000005 109.154 171.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.537 ' O ' HG22 ' A' ' 60' ' ' VAL . 2.9 p-10 -44.9 -43.95 9.29 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 115.709 1.744 . . . . 0.69999999999999996 115.709 -169.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 p30 -62.07 -39.27 91.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.93 0.871 . . . . 2.3100000000000001 109.321 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -69.23 -30.47 68.63 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 113.83 -1.532 . . . . 0.13 112.357 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.6 m -79.46 -35.79 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 119.574 -0.851 . . . . 0.25 109.987 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -70.51 -24.46 62.83 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 121.445 0.64 . . . . 1.71 109.778 174.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CG ' ' HB3' ' A' ' 46' ' ' LEU . 83.8 t80 -67.99 -59.2 3.45 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.424 -0.954 . . . . 0.17999999999999999 108.424 169.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -60.75 2.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.022 -0.99 . . . . 1.4399999999999999 112.394 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.6 p -44.32 -54.75 5.5 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.47 0.915 . . . . 1.3 113.47 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.599 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 2.7 t90 -74.17 -48.08 31.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.765 0.316 . . . . 0.23000000000000001 111.642 -178.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.711 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 69.1 t-105 -65.86 -36.19 82.75 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 122.899 0.48 . . . . 0.39000000000000001 111.463 -171.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -84.48 1.24 46.5 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.424 0.631 . . . . 0.38 110.888 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.1 t -95.23 -20.34 19.29 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.909 0.861 . . . . 0.84999999999999998 108.885 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 2.0 ptm180 -116.46 -62.41 1.59 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.247 -1.342 . . . . 1.7 111.402 -172.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.527 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 6.2 m -96.61 -64.8 1.01 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.061 -0.972 . . . . 0.33000000000000002 111.654 -172.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.573 ' C ' ' HG3' ' A' ' 72' ' ' MET . 48.5 mtpt 77.63 1.89 2.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 114.637 -1.165 . . . . 1.2 111.963 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.711 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 47.52 -166.04 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.14 1.533 . . . . 1.2 115.14 166.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.432 ' H ' ' HB2' ' A' ' 72' ' ' MET . . . -140.0 34.59 1.94 Allowed 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 114.22 -1.354 . . . . 0.93000000000000005 109.781 178.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.547 ' ND2' ' HB1' ' A' ' 51' ' ' ALA . 38.7 t-20 43.84 -87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 125.057 1.473 . . . . 2.3700000000000001 111.18 -177.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -150.44 34.61 0.63 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.204 0.526 . . . . 2.3799999999999999 109.593 170.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.386 -0.816 . . . . 1.7 110.39 -179.102 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.288 -0.325 . . . . 1.46 112.288 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.93 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -150.61 -143.36 0.13 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.932 -0.766 . . . . 1.21 108.932 177.291 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.517 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 1.5 m-85 -142.08 -167.7 2.53 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.07 -0.344 . . . . 0.79000000000000004 110.07 -172.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -161.97 146.6 12.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 1.6699999999999999 109.089 167.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.62 52.02 53.71 Favored Glycine 0 CA--C 1.517 0.202 0 C-N-CA 120.822 -0.704 . . . . 1.3899999999999999 113.028 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.517 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -162.44 37.91 0.11 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.209 0.528 . . . . 1.8500000000000001 111.127 179.458 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.06 28.8 67.78 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.656 -0.978 . . . . 1.05 110.656 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.481 HG21 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -53.68 128.76 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 N-CA-C 113.536 0.939 . . . . 0.42999999999999999 113.536 -176.265 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.04 -8.78 15.77 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 113.762 -1.563 . . . . 0.34999999999999998 108.821 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.965 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.2 tm? 59.47 177.24 0.08 Allowed 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.946 -1.025 . . . . 1.1399999999999999 109.073 176.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.853 ' N ' HD13 ' A' ' 19' ' ' LEU . 14.0 t -66.1 172.37 3.84 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.61 -1.306 . . . . 0.88 110.198 172.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -59.9 -58.17 9.69 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 112.788 0.662 . . . . 2.1499999999999999 112.788 -170.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.92 -62.71 1.35 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.972 0.36 . . . . 2.0499999999999998 111.972 -172.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.965 ' HB2' HD11 ' A' ' 19' ' ' LEU . 58.7 mt-10 -56.58 -29.6 62.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.697 1.369 . . . . 2.0099999999999998 114.697 -167.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.845 ' CE2' HG21 ' A' ' 40' ' ' VAL . 35.9 t80 -65.79 -58.13 6.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 118.664 0.665 . . . . 0.22 109.781 177.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -52.76 -43.49 65.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.635 0.731 . . . . 1.8 111.024 171.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.622 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 32.7 mm-40 -69.07 -22.06 64.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.5 -0.773 . . . . 1.27 111.931 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.18 -36.49 84.23 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.233 0.54 . . . . 0.16 109.561 174.585 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 54.1 mtm180 -63.32 -31.23 72.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.131 -0.94 . . . . 2.6299999999999999 109.456 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -75.76 -39.91 56.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.177 -0.465 . . . . 0.96999999999999997 110.75 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -50.49 -37.95 41.45 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 110.193 -0.299 . . . . 0.14000000000000001 110.193 172.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.563 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 26.1 t-20 -56.4 -51.79 67.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.017 -0.538 . . . . 1.78 109.974 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.73 -61.4 2.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.281 -0.872 . . . . 0.19 112.246 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.1 t -58.91 -40.93 85.97 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.99 0.737 . . . . 0.27000000000000002 112.99 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -91.28 -0.65 57.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.576 0.584 . . . . 1.04 112.576 -175.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.05 56.99 4.87 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.141 -0.936 . . . . 1.27 110.883 174.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.682 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -139.25 -174.24 3.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.523 -0.917 . . . . 0.35999999999999999 108.523 -176.435 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -137.1 37.82 2.55 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.064 -1.087 . . . . 1.0 108.064 -176.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.682 HD22 HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -69.26 149.25 48.73 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.158 -1.383 . . . . 0.34000000000000002 110.963 -175.483 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m -86.97 175.42 8.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.066 -0.516 . . . . 0.64000000000000001 109.693 175.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.845 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -67.5 -46.47 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 120.219 -0.592 . . . . 0.19 110.148 -176.177 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.626 ' O ' ' HG3' ' A' ' 45' ' ' MET . 30.2 mt-10 -50.46 -43.81 55.44 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 123.615 0.572 . . . . 0.81999999999999995 110.061 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 20.9 m-20 -59.17 -42.41 90.71 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.356 -0.384 . . . . 0.66000000000000003 111.598 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.564 ' HD1' HD23 ' A' ' 44' ' ' LEU . 9.0 t80 -60.12 -51.89 67.7 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.597 0.713 . . . . 0.23000000000000001 109.079 175.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.602 HD23 ' N ' ' A' ' 44' ' ' LEU . 2.6 mt -59.53 -25.82 64.83 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.152 -1.385 . . . . 0.17000000000000001 110.085 -174.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 25.5 mtm -66.45 -60.02 3.13 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.306 0.575 . . . . 1.27 110.602 172.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 62' ' ' PHE . 19.5 mt -52.64 -52.94 53.31 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 114.84 -1.073 . . . . 0.14000000000000001 110.705 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.488 ' HG3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -61.24 -50.69 72.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.097 -0.956 . . . . 2.0800000000000001 111.047 178.439 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.882 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.32 -61.12 0.82 Allowed 'General case' 0 C--O 1.217 -0.658 0 O-C-N 123.526 0.516 . . . . 0.46999999999999997 110.939 172.612 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.591 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 32.4 mtt-85 -63.37 -32.14 73.49 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.872 0.368 . . . . 0.68999999999999995 110.598 -170.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.62 -58.49 4.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.154 -0.475 . . . . 0.41999999999999998 110.91 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.94 -47.43 74.47 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.403 0.52 . . . . 0.52000000000000002 112.403 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.882 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 12.4 mt -75.56 -69.25 0.5 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 0.46000000000000002 110.371 -174.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.23 42.08 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.119 -1.038 . . . . 0.55000000000000004 113.63 172.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -113.07 140.97 47.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.219 0.509 . . . . 0.29999999999999999 110.563 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.48 43.84 1.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 1.9299999999999999 111.676 -174.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.515 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 2.8 t70 -67.11 120.03 13.02 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.723 -0.843 . . . . 0.93000000000000005 108.723 169.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.569 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.4 p-10 -39.99 -42.13 1.32 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 115.323 1.601 . . . . 0.69999999999999996 115.323 -172.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.42 ' C ' HD22 ' A' ' 46' ' ' LEU . 28.4 m-20 -60.09 -41.34 92.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.948 0.88 . . . . 2.3100000000000001 109.112 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -70.73 -34.01 71.44 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.017 -1.447 . . . . 0.13 111.832 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.1 m -74.93 -37.81 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 119.92 -0.712 . . . . 0.25 110.136 -175.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -68.5 -35.23 77.22 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.291 -0.413 . . . . 1.71 110.064 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.541 ' HB2' HD13 ' A' ' 46' ' ' LEU . 73.3 t80 -58.86 -57.37 13.34 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 109.088 -0.708 . . . . 0.17999999999999999 109.088 172.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -46.1 -59.63 2.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.428 -0.805 . . . . 1.4399999999999999 110.77 174.358 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.6 t -41.5 -57.98 2.05 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.994 0.809 . . . . 1.3 112.114 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.496 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 11.6 t90 -68.81 -49.72 56.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.899 0.381 . . . . 0.23000000000000001 111.921 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 21.9 t-105 -72.9 -24.92 60.9 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.256 -0.429 . . . . 0.39000000000000001 111.649 -169.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 23.2 m-80 -94.6 4.25 54.07 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.366 0.603 . . . . 0.38 110.862 -177.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -92.39 -21.27 20.31 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.507 0.67 . . . . 0.84999999999999998 109.277 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -114.05 -65.09 1.22 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.901 -1.045 . . . . 1.7 110.766 -173.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.9 m -92.03 -58.74 2.3 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.562 -1.199 . . . . 0.33000000000000002 111.808 -175.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.572 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.0 mtpt 73.16 22.8 2.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 124.609 1.193 . . . . 1.2 109.984 -172.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.572 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 43.67 -165.37 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 113.629 -1.623 . . . . 1.2 115.155 170.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.412 ' H ' ' HB2' ' A' ' 72' ' ' MET . . . -166.12 80.55 0.27 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.432 -1.258 . . . . 0.93000000000000005 108.76 -176.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -19.1 -69.16 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 O-C-N 125.315 1.634 . . . . 2.3700000000000001 112.632 -171.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -149.87 39.59 0.78 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.71 0.767 . . . . 2.3799999999999999 109.201 169.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--O 1.248 0.999 0 CA-C-N 114.959 -1.019 . . . . 1.7 110.57 -176.786 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 111.847 -0.501 . . . . 1.46 111.847 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.668 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -130.62 -148.66 0.37 Allowed 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.66 -0.496 . . . . 1.21 109.66 178.051 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.575 ' CB ' ' HD3' ' A' ' 15' ' ' ARG . 1.0 OUTLIER -144.87 -156.66 0.72 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.591 0.71 . . . . 0.79000000000000004 111.06 -168.086 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.492 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 9.5 ttp180 -165.23 145.91 7.22 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 113.883 -1.508 . . . . 1.6699999999999999 108.05 172.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.42 58.25 2.95 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 119.62 -1.276 . . . . 1.3899999999999999 113.821 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.575 ' HD3' ' CB ' ' A' ' 12' ' ' TYR . 11.7 ptm180 -179.31 33.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.957 0.378 . . . . 1.8500000000000001 111.133 -177.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.03 31.07 71.55 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.062 -1.215 . . . . 1.05 110.062 -172.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.474 HG11 ' C ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -41.4 128.18 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.762 0 CA-C-N 114.399 -0.901 . . . . 0.42999999999999999 112.964 -176.775 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.96 -14.37 29.61 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.338 -1.301 . . . . 0.34999999999999998 109.509 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' A' ' 23' ' ' GLU . 2.5 tm? 60.86 -172.35 0.14 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 107.824 -1.176 . . . . 1.1399999999999999 107.824 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.799 ' N ' HD13 ' A' ' 19' ' ' LEU . 2.5 t -70.71 162.81 28.37 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 120.833 -1.167 . . . . 0.88 108.925 166.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -58.08 -57.9 10.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.161 0.801 . . . . 2.1499999999999999 113.161 -168.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.92 -58.05 4.31 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.851 0.315 . . . . 2.0499999999999998 111.851 -170.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.884 ' HB2' HD11 ' A' ' 19' ' ' LEU . 11.3 mm-40 -46.6 -38.4 9.52 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.017 1.117 . . . . 2.0099999999999998 114.017 -175.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.641 ' CE2' HG21 ' A' ' 40' ' ' VAL . 39.1 t80 -61.04 -59.34 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.18 0.514 . . . . 0.22 110.477 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -51.62 -40.72 60.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 1.8 110.599 171.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.615 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 13.0 mm-40 -67.89 -21.63 65.14 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.504 -0.771 . . . . 1.27 112.078 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.594 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -64.4 -37.65 88.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.653 -0.499 . . . . 0.16 109.653 174.052 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 45.0 mtm180 -60.76 -35.22 75.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.467 -0.788 . . . . 2.6299999999999999 109.441 176.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.33 -36.92 63.69 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.068 -0.515 . . . . 0.96999999999999997 110.683 173.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.446 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.0 t-160 -52.68 -40.24 62.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.475 -0.33 . . . . 0.14000000000000001 110.473 173.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.47 ' HA ' HD12 ' A' ' 36' ' ' LEU . 13.3 m-80 -53.5 -50.84 64.53 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.573 0.546 . . . . 1.78 109.844 173.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.04 -60.65 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.137 -0.938 . . . . 0.19 112.392 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 65' ' ' TRP . 30.4 t -59.94 -38.82 83.52 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.794 0.664 . . . . 0.27000000000000002 112.794 -170.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.488 HH11 ' HB2' ' A' ' 65' ' ' TRP . 8.1 mmm180 -91.64 4.14 53.39 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.324 -0.55 . . . . 1.04 111.539 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 54.69 42.11 31.45 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.169 -0.923 . . . . 1.27 111.769 174.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.664 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -129.62 -175.78 3.7 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.168 -0.679 . . . . 0.35999999999999999 109.168 -177.049 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -141.45 105.47 4.77 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.664 HD22 HD13 ' A' ' 36' ' ' LEU . 2.3 pt? -136.21 155.67 49.79 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.815 -0.629 . . . . 0.34000000000000002 109.98 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.8 m -89.75 167.51 12.82 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.003 -0.999 . . . . 0.64000000000000001 109.302 175.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.736 HG22 HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -61.03 -44.07 97.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.705 -0.398 . . . . 0.19 110.852 -169.839 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' ' 45' ' ' MET . 35.0 mt-10 -44.49 -53.6 6.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.838 0.711 . . . . 0.81999999999999995 111.015 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.3 m-20 -58.42 -42.15 86.58 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.412 -0.358 . . . . 0.66000000000000003 111.889 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.682 ' HD1' HD23 ' A' ' 44' ' ' LEU . 18.6 t80 -59.02 -53.87 53.52 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.19 -0.67 . . . . 0.23000000000000001 109.19 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.848 HD22 ' HG ' ' A' ' 19' ' ' LEU . 1.9 mt -53.9 -33.56 56.94 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 114.175 -1.375 . . . . 0.17000000000000001 110.004 -178.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.581 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 91.8 mtp -66.3 -56.26 12.03 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.336 0.397 . . . . 1.27 110.775 174.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 31.5 mt -46.78 -51.12 17.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.754 -0.657 . . . . 0.14000000000000001 111.633 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.59 ' NH2' ' HG3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -69.29 -46.3 67.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.23 -0.441 . . . . 2.0800000000000001 110.666 178.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.902 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -45.09 -62.84 1.09 Allowed 'General case' 0 C--O 1.214 -0.794 0 O-C-N 123.963 0.79 . . . . 0.46999999999999997 111.07 177.031 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.581 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 13.3 mtt180 -53.03 -52.71 57.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.86 0.362 . . . . 0.68999999999999995 110.716 -174.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.07 -55.95 17.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.232 -0.895 . . . . 0.41999999999999998 111.61 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.96 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.592 0.757 . . . . 0.52000000000000002 112.577 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.902 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -89.22 -73.16 0.52 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.389 -0.369 . . . . 0.46000000000000002 110.762 -171.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.07 36.88 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.992 -1.099 . . . . 0.55000000000000004 113.416 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -121.42 138.1 54.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.28 0.54 . . . . 0.29999999999999999 110.333 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.4 49.12 1.31 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.274 -0.421 . . . . 1.9299999999999999 111.498 -173.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.99 130.33 41.87 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.193 -0.669 . . . . 0.93000000000000005 109.193 171.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.597 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.5 p-10 -46.06 -37.8 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 115.255 1.576 . . . . 0.69999999999999996 115.255 -169.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -43.1 99.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 119.011 0.823 . . . . 2.3100000000000001 109.223 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.93 -35.83 81.7 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 113.954 -1.475 . . . . 0.13 111.556 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.8 m -75.9 -38.2 35.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.951 -0.699 . . . . 0.25 110.537 -176.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -70.37 -24.02 62.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.225 0.536 . . . . 1.71 110.25 176.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.467 ' HB2' HD13 ' A' ' 46' ' ' LEU . 82.5 t80 -67.75 -54.19 21.26 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.888 -0.782 . . . . 0.17999999999999999 108.888 169.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -51.85 -60.79 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.216 -0.902 . . . . 1.4399999999999999 111.307 177.84 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.448 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 49.8 m -48.17 -37.31 15.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.221 0.823 . . . . 1.3 113.221 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.488 ' HB2' HH11 ' A' ' 34' ' ' ARG . 8.9 t90 -82.19 -53.16 6.29 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.137 -0.352 . . . . 0.23000000000000001 111.109 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.672 ' CD1' ' HB3' ' A' ' 72' ' ' MET . 11.7 t-105 -68.06 -25.98 65.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.02 -0.536 . . . . 0.39000000000000001 111.378 -170.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.568 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 9.5 m120 -94.42 1.43 55.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.38 111.747 -176.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 66.0 m -93.82 -18.12 22.36 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.696 0.76 . . . . 0.84999999999999998 109.379 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -114.02 -69.77 0.84 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.672 -1.149 . . . . 1.7 110.377 -174.546 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.2 m -85.2 -56.96 3.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.3 -1.318 . . . . 0.33000000000000002 111.844 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.588 ' C ' ' HG3' ' A' ' 72' ' ' MET . 31.3 mtpt 74.7 21.49 2.16 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 114.53 -1.214 . . . . 1.2 109.454 -171.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.672 ' HB3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 44.68 -163.6 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 113.01 -1.905 . . . . 1.2 115.478 168.435 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.424 ' H ' ' HB2' ' A' ' 72' ' ' MET . . . -157.53 84.8 0.91 Allowed 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 113.625 -1.625 . . . . 0.93000000000000005 107.046 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -25.81 -55.82 0.06 Allowed 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.939 1.399 . . . . 2.3700000000000001 113.057 -174.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -159.14 30.62 0.21 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.185 0.517 . . . . 2.3799999999999999 110.528 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.555 -0.736 . . . . 1.7 110.794 -176.78 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.597 -0.601 . . . . 1.46 111.597 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.723 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -111.88 -155.5 0.57 Allowed 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 121.571 0.7 . . . . 1.21 110.593 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.671 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 4.5 m-85 -132.99 -155.34 0.67 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.662 -1.154 . . . . 0.79000000000000004 108.958 -174.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -169.48 115.84 0.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.412 0.445 . . . . 1.6699999999999999 109.981 172.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.46 ' HA2' ' OE1' ' A' ' 41' ' ' GLU . . . 112.01 -45.14 1.36 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.383 -0.913 . . . . 1.3899999999999999 113.009 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.671 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -78.64 54.55 1.51 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.807 0.669 . . . . 1.8500000000000001 112.807 -172.416 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.28 30.52 76.87 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.009 -1.091 . . . . 1.05 111.375 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -54.72 132.11 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.655 0 CA-C-O 122.253 1.025 . . . . 0.42999999999999999 113.587 -176.197 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.47 -13.92 15.88 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 113.452 -1.704 . . . . 0.34999999999999998 109.253 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.002 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.3 tm? 62.77 178.27 0.14 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.109 0.881 . . . . 1.1399999999999999 108.913 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.876 ' N ' HD13 ' A' ' 19' ' ' LEU . 4.3 t -68.67 177.65 2.41 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.821 -1.175 . . . . 0.88 109.351 170.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.96 -53.56 30.54 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 121.852 -0.53 . . . . 2.1499999999999999 112.214 -172.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.74 -62.83 1.24 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.46 0.541 . . . . 2.0499999999999998 112.46 -171.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 1.002 ' HB2' HD11 ' A' ' 19' ' ' LEU . 22.0 mm-40 -48.21 -32.93 7.78 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.754 1.02 . . . . 2.0099999999999998 113.754 -173.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.664 ' CD2' HG21 ' A' ' 40' ' ' VAL . 30.7 t80 -67.1 -56.01 11.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.01 0.433 . . . . 0.22 109.854 -179.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -52.06 -44.57 64.34 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.69 0.757 . . . . 1.8 110.766 170.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.651 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.6 mm-40 -70.67 -18.95 62.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.588 -0.733 . . . . 1.27 111.786 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.665 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -65.87 -38.26 88.34 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 120.998 0.427 . . . . 0.16 110.012 173.52 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -60.72 -32.81 72.05 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.312 -0.858 . . . . 2.6299999999999999 109.107 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -77.87 -39.24 43.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.764 -0.653 . . . . 0.96999999999999997 111.082 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 10.1 t-160 -50.39 -41.43 52.02 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.631 0.253 . . . . 0.14000000000000001 110.438 172.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.509 ' HA ' HD12 ' A' ' 36' ' ' LEU . 9.7 t30 -57.27 -48.08 79.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.776 -0.647 . . . . 1.78 110.11 176.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.48 -61.22 1.92 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.894 -1.048 . . . . 0.19 112.368 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.407 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 34.2 t -56.57 -44.98 81.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.621 0.6 . . . . 0.27000000000000002 112.621 -173.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -84.53 -2.07 56.78 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.845 -0.342 . . . . 1.04 111.3 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 58.92 31.44 21.32 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.634 -0.712 . . . . 1.27 111.63 173.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.573 HD13 HD22 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -109.32 -169.22 1.44 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.833 -0.621 . . . . 0.35999999999999999 110.342 -179.136 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -141.26 103.17 4.38 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.821 -0.807 . . . . 1.0 108.821 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.573 HD22 HD13 ' A' ' 36' ' ' LEU . 1.5 pt? -137.22 161.5 36.02 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.584 0.707 . . . . 0.34000000000000002 110.895 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -102.47 154.12 19.4 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.769 -1.197 . . . . 0.64000000000000001 107.769 171.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.726 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -45.28 -39.62 2.37 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 113.051 0.76 . . . . 0.19 113.051 -171.704 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.664 ' O ' ' HG3' ' A' ' 45' ' ' MET . 22.2 mt-10 -48.92 -55.28 12.26 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.342 0.401 . . . . 0.81999999999999995 111.102 -179.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.587 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 9.9 m-20 -57.98 -34.3 69.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.617 -0.265 . . . . 0.66000000000000003 111.38 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.582 ' HD1' HD23 ' A' ' 44' ' ' LEU . 6.7 t80 -63.5 -53.26 54.72 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.157 -0.683 . . . . 0.23000000000000001 109.157 173.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.726 HD21 HG22 ' A' ' 40' ' ' VAL . 3.5 mt -57.01 -30.12 63.92 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 114.454 -1.248 . . . . 0.17000000000000001 110.024 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.664 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 72.4 mtp -65.74 -58.23 6.16 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.973 0.795 . . . . 1.27 110.509 174.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 24.2 mt -50.56 -54.5 22.04 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.82 -0.627 . . . . 0.14000000000000001 111.056 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -58.83 -51.34 70.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.485 -0.78 . . . . 2.0800000000000001 110.801 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.873 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -41.36 -62.72 0.81 Allowed 'General case' 0 C--O 1.213 -0.82 0 O-C-N 123.783 0.677 . . . . 0.46999999999999997 111.324 174.142 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 16.8 mtt180 -57.26 -42.32 81.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.723 0.297 . . . . 0.68999999999999995 110.954 -170.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.55 -55.67 28.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.861 -0.609 . . . . 0.41999999999999998 110.868 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.43 -40.9 79.39 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.612 0.597 . . . . 0.52000000000000002 112.612 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.873 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.0 mt -82.99 -77.04 0.25 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.431 -0.35 . . . . 0.46000000000000002 110.603 -174.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.06 16.23 0.02 OUTLIER Glycine 0 CA--C 1.522 0.503 0 C-N-CA 119.838 -1.172 . . . . 0.55000000000000004 114.023 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.575 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -95.27 134.48 37.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.678 0.739 . . . . 0.29999999999999999 111.123 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -109.41 47.83 0.91 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.682 -0.69 . . . . 1.9299999999999999 111.36 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 14.4 t70 -69.88 122.38 19.15 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.005 -0.739 . . . . 0.93000000000000005 109.005 169.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.515 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.4 p-10 -38.55 -42.48 0.77 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 115.752 1.76 . . . . 0.69999999999999996 115.752 -173.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' C ' HD22 ' A' ' 46' ' ' LEU . 26.9 m-20 -61.94 -38.54 88.87 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.38 0.991 . . . . 2.3100000000000001 109.196 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.3 -33.49 67.43 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.506 -1.225 . . . . 0.13 111.425 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.515 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.2 m -76.84 -36.68 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 119.922 -0.711 . . . . 0.25 110.093 -176.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -71.43 -30.54 66.18 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.245 -0.434 . . . . 1.71 109.846 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.489 ' HB2' HD13 ' A' ' 46' ' ' LEU . 60.9 t80 -60.41 -57.61 12.05 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.781 -0.822 . . . . 0.17999999999999999 108.781 170.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.6 tmt_? -48.22 -60.76 2.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.383 -0.826 . . . . 1.4399999999999999 110.948 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.436 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 49.9 m -42.49 -56.59 2.99 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.844 0.715 . . . . 1.3 112.555 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.477 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 7.7 t90 -66.88 -49.46 65.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.699 0.285 . . . . 0.23000000000000001 111.513 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.651 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 8.5 t-105 -70.98 -24.28 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.356 -0.384 . . . . 0.39000000000000001 111.511 -170.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 18.7 m-80 -95.27 2.66 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.369 0.604 . . . . 0.38 110.768 -175.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.0 m -92.24 -21.33 20.39 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 121.737 0.779 . . . . 0.84999999999999998 109.39 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.24 -68.45 0.93 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.663 -1.153 . . . . 1.7 110.82 -174.35 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 26.2 m -91.6 -58.21 2.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.547 -1.206 . . . . 0.33000000000000002 111.944 -174.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.621 ' C ' ' HG3' ' A' ' 72' ' ' MET . 51.2 mtpt 75.25 22.53 1.7 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.652 -1.158 . . . . 1.2 110.002 -173.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.621 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 1.2 ppp? 43.87 -165.9 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 113.662 -1.608 . . . . 1.2 114.79 171.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.55 50.06 1.22 Allowed 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 113.516 -1.675 . . . . 0.93000000000000005 108.639 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.405 ' HA ' ' CE ' ' A' ' 72' ' ' MET . 20.3 m-80 18.38 -95.71 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.36 0 O-C-N 125.656 1.847 . . . . 2.3700000000000001 112.788 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -133.04 35.85 3.5 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.764 -0.828 . . . . 2.3799999999999999 108.764 173.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.423 -0.798 . . . . 1.7 110.144 178.65 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.081 -0.408 . . . . 1.46 112.081 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.853 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -141.56 -143.7 0.15 Allowed 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.07 0.462 . . . . 1.21 109.834 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.572 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 -140.65 -167.28 2.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.643 -0.708 . . . . 0.79000000000000004 109.207 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -176.51 141.55 0.4 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.241 -1.022 . . . . 1.6699999999999999 108.241 169.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.43 41.42 4.82 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 119.774 -1.203 . . . . 1.3899999999999999 110.891 -172.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.572 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 6.2 ptp180 -173.34 -166.83 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.162 -0.519 . . . . 1.8500000000000001 109.916 -172.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.64 49.29 2.37 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.756 -0.657 . . . . 1.05 112.141 173.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.508 HG13 ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -61.88 133.02 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-O 121.772 0.796 . . . . 0.42999999999999999 112.058 -179.375 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.26 -9.39 14.3 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.158 -1.383 . . . . 0.34999999999999998 108.947 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 20' ' ' THR . 3.1 tm? 59.51 179.8 0.08 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.092 -0.958 . . . . 1.1399999999999999 108.743 176.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.865 ' N ' HD13 ' A' ' 19' ' ' LEU . 12.2 t -67.67 -177.16 0.72 Allowed 'General case' 0 C--N 1.321 -0.667 0 O-C-N 120.604 -1.31 . . . . 0.88 109.627 170.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -72.1 -57.31 4.37 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 112.762 0.652 . . . . 2.1499999999999999 112.762 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.16 -61.19 2.05 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.08 0.4 . . . . 2.0499999999999998 112.08 -173.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.773 ' CB ' HD11 ' A' ' 19' ' ' LEU . 5.8 mt-10 -46.91 -35.95 7.04 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.19 1.181 . . . . 2.0099999999999998 114.19 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.739 ' CD2' HG21 ' A' ' 40' ' ' VAL . 34.4 t80 -68.64 -54.88 13.69 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.255 0.48 . . . . 0.22 110.076 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.24 -43.97 61.6 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.554 0.692 . . . . 1.8 110.893 171.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.572 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 39.0 mt-10 -77.01 -16.54 59.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.889 -0.596 . . . . 1.27 112.318 -177.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.674 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -62.44 -36.11 81.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.375 -0.602 . . . . 0.16 109.375 168.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -62.73 -34.63 77.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.191 -0.913 . . . . 2.6299999999999999 109.116 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.41 -43.42 70.04 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.953 -0.567 . . . . 0.96999999999999997 110.719 171.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.454 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 5.7 t60 -49.07 -43.8 41.36 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.308 -0.405 . . . . 0.14000000000000001 111.205 175.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.503 ' HA ' HD12 ' A' ' 36' ' ' LEU . 11.2 t30 -60.22 -43.73 95.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.22 0.533 . . . . 1.78 110.269 178.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.24 -60.97 2.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.123 -0.944 . . . . 0.19 111.713 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -57.14 -48.68 78.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.711 -0.677 . . . . 0.27000000000000002 112.795 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.447 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 10.5 mmm180 -82.7 -4.67 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.641 0.258 . . . . 1.04 111.514 -175.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt 60.67 27.42 17.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.647 -0.706 . . . . 1.27 111.552 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD13 HD22 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -101.9 -168.29 1.52 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.752 -0.658 . . . . 0.35999999999999999 110.252 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -145.93 95.08 2.58 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD22 HD13 ' A' ' 36' ' ' LEU . 1.5 pt? -128.44 163.14 25.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.468 0.652 . . . . 0.34000000000000002 110.919 -173.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 p -91.93 156.81 17.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.024 -1.102 . . . . 0.64000000000000001 108.024 169.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.739 HG21 ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -50.39 -37.17 14.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 C-N-CA 120.273 -0.571 . . . . 0.19 110.79 177.779 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.605 ' O ' ' HG3' ' A' ' 45' ' ' MET . 30.1 mt-10 -53.12 -51.25 62.54 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.465 0.478 . . . . 0.81999999999999995 110.168 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.506 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 34.6 m-20 -55.41 -41.14 72.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.494 -0.321 . . . . 0.66000000000000003 111.332 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.682 ' HD1' HD23 ' A' ' 44' ' ' LEU . 3.2 t80 -60.32 -51.21 70.5 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.368 0.604 . . . . 0.23000000000000001 109.446 176.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.729 HD21 HG22 ' A' ' 40' ' ' VAL . 3.5 mt -57.96 -32.2 67.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.432 -1.258 . . . . 0.17000000000000001 109.567 -174.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.605 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 73.7 mtp -64.33 -59.04 4.85 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.637 0.585 . . . . 1.27 110.893 174.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 23.2 mt -49.3 -54.36 17.37 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.551 0.691 . . . . 0.14000000000000001 110.845 178.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.601 ' HG3' ' OE2' ' A' ' 23' ' ' GLU . 1.1 ttt180 -58.23 -53.55 56.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.599 -1.182 . . . . 2.0800000000000001 110.723 178.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.871 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.6 m-70 -42.67 -60.69 1.47 Allowed 'General case' 0 C--O 1.218 -0.588 0 O-C-N 123.602 0.564 . . . . 0.46999999999999997 111.342 175.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.563 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 18.7 mtt180 -56.19 -45.92 79.61 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.208 -0.597 . . . . 0.68999999999999995 109.92 -173.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.68 -58.74 7.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.604 -0.725 . . . . 0.41999999999999998 111.496 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . . . -55.44 -40.27 71.35 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.616 0.599 . . . . 0.52000000000000002 112.616 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.871 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 21.2 mt -80.67 -70.02 0.56 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.491 -0.322 . . . . 0.46000000000000002 110.592 -174.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.51 28.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.23 -0.986 . . . . 0.55000000000000004 113.427 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -109.17 139.54 43.94 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.482 0.658 . . . . 0.29999999999999999 111.376 177.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -118.95 52.64 1.04 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.413 -0.812 . . . . 1.9299999999999999 111.385 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -75.95 130.77 38.98 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.729 -0.841 . . . . 0.93000000000000005 108.729 170.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.678 ' HA ' HG22 ' A' ' 60' ' ' VAL . 2.8 p-10 -40.42 -42.59 1.63 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 116.295 1.961 . . . . 0.69999999999999996 116.295 -169.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.2 p30 -61.65 -38.28 87.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 119.475 1.034 . . . . 2.3100000000000001 109.952 -178.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 62' ' ' PHE . . . -73.18 -32.45 64.84 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.368 -1.287 . . . . 0.13 111.697 176.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' A' ' 57' ' ' ASN . 4.2 m -73.86 -39.96 52.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 C-N-CA 119.783 -0.767 . . . . 0.25 110.15 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -65.48 -26.19 67.82 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.036 -0.529 . . . . 1.71 110.358 174.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.472 ' HB2' HD13 ' A' ' 46' ' ' LEU . 89.7 t80 -66.92 -59.69 3.29 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.71 -0.677 . . . . 0.17999999999999999 110.21 174.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.598 ' HB2' ' ND2' ' A' ' 67' ' ' ASN . 4.0 ppt_? -63.67 -48.56 76.67 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 112.659 0.614 . . . . 1.4399999999999999 112.659 -176.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.7 p -45.33 -38.29 5.61 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 111.969 0.359 . . . . 1.3 111.969 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.457 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 4.0 t90 -86.13 -42.26 14.03 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.015 0.376 . . . . 0.23000000000000001 112.015 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.572 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 7.6 t-105 -77.88 -24.37 48.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.759 0.281 . . . . 0.39000000000000001 111.759 -171.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.598 ' ND2' ' HB2' ' A' ' 63' ' ' ARG . 68.4 m-20 -85.34 -6.07 59.26 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.236 0.541 . . . . 0.38 111.297 -176.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.6 t -94.26 -16.96 23.14 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.482 0.658 . . . . 0.84999999999999998 109.587 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.476 ' HG3' ' H ' ' A' ' 70' ' ' THR . 5.2 ptp180 -114.15 -65.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.361 -0.836 . . . . 1.7 111.213 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.476 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 44.1 m -98.61 -57.35 2.21 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.176 -0.92 . . . . 0.33000000000000002 111.744 -176.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.505 ' C ' ' HG3' ' A' ' 72' ' ' MET . 52.4 mtpt 74.76 32.26 0.86 Allowed 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.723 1.264 . . . . 1.2 109.574 -170.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.505 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 50.02 -76.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 113.743 -1.571 . . . . 1.2 114.808 175.328 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.413 ' HB1' ' HB2' ' A' ' 76' ' ' TYR . . . 98.2 74.66 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 107.17 -1.418 . . . . 0.93000000000000005 107.17 -162.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.569 ' ND2' ' HA ' ' A' ' 51' ' ' ALA . 1.5 m-20 -47.43 85.32 0.0 OUTLIER 'General case' 0 C--O 1.235 0.3 0 CA-C-N 113.298 -1.774 . . . . 2.3700000000000001 112.397 -169.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 65.11 21.25 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.339 -0.846 . . . . 2.3799999999999999 111.253 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.413 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 78.3 m-85 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.534 -0.746 . . . . 1.7 110.726 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 112.165 -0.374 . . . . 1.46 112.165 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.595 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -120.74 -157.05 0.7 Allowed 'General case' 0 N--CA 1.435 -1.18 0 CA-C-O 121.553 0.692 . . . . 1.21 110.928 179.783 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.554 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.6 m-85 -140.9 -161.94 1.29 Allowed 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.377 -1.283 . . . . 0.79000000000000004 109.051 -173.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 35.8 ttp180 -163.72 146.36 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.221 -0.445 . . . . 1.6699999999999999 110.179 169.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.89 42.77 99.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 1.3899999999999999 112.463 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.554 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -149.99 34.18 0.67 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.351 0.596 . . . . 1.8500000000000001 110.571 -179.156 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.66 27.45 71.0 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.309 -0.948 . . . . 1.05 110.935 -175.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.454 HG21 HD12 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -50.07 126.81 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 CA-C-O 121.935 0.874 . . . . 0.42999999999999999 112.543 -178.216 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.64 -19.55 15.39 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 113.948 -1.478 . . . . 0.34999999999999998 109.174 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.123 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.32 165.91 0.11 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.124 -0.944 . . . . 1.1399999999999999 109.526 176.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.858 ' N ' HD13 ' A' ' 19' ' ' LEU . 8.3 t -60.79 168.89 2.09 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.293 -0.879 . . . . 0.88 110.554 175.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.59 -44.06 95.13 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.225 0.824 . . . . 2.1499999999999999 113.225 -167.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.465 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 32.3 t70 -78.91 -63.48 1.41 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.261 0.467 . . . . 2.0499999999999998 112.261 -171.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 1.123 ' HB2' HD11 ' A' ' 19' ' ' LEU . 28.8 mt-10 -45.98 -37.59 6.72 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.604 0.964 . . . . 2.0099999999999998 113.604 -174.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.828 ' CE2' HG21 ' A' ' 40' ' ' VAL . 37.1 t80 -64.43 -58.51 6.23 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.089 0.471 . . . . 0.22 110.329 -177.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -40.79 61.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.137 0.494 . . . . 1.8 111.21 171.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.598 ' HB3' ' CZ2' ' A' ' 66' ' ' TRP . 13.1 mm-40 -69.32 -22.89 63.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 1.27 111.683 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.585 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -63.8 -36.97 85.65 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.16 110.105 174.553 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 40.4 mtm180 -62.16 -36.25 81.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.731 -0.668 . . . . 2.6299999999999999 109.357 177.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.82 -38.33 73.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.93 -0.577 . . . . 0.96999999999999997 110.715 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 13.2 t-160 -51.59 -41.79 61.46 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.179 -0.464 . . . . 0.14000000000000001 110.369 173.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.522 ' OD1' HD23 ' A' ' 38' ' ' LEU . 27.3 m-20 -53.91 -48.05 70.56 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.35 0.595 . . . . 1.78 110.655 175.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.23 -60.48 2.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.194 -0.912 . . . . 0.19 112.155 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 t -58.97 -42.4 89.85 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.02 0.748 . . . . 0.27000000000000002 113.02 -171.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -92.31 6.9 45.12 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.972 0.73 . . . . 1.04 112.972 -171.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.55 54.68 8.95 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.039 -0.528 . . . . 1.27 111.028 177.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.549 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -144.24 -175.04 4.46 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.921 -0.77 . . . . 0.35999999999999999 108.921 -176.551 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -149.24 93.46 2.08 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.098 -0.705 . . . . 1.0 109.098 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.549 HD22 HD13 ' A' ' 36' ' ' LEU . 2.3 pt? -123.31 154.63 38.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.308 0.575 . . . . 0.34000000000000002 110.621 -176.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -83.7 168.93 15.81 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.038 -0.983 . . . . 0.64000000000000001 108.808 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.828 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -63.96 -42.11 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 C-N-CA 119.928 -0.709 . . . . 0.19 110.613 -174.558 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.612 ' O ' ' HG3' ' A' ' 45' ' ' MET . 24.5 mt-10 -45.89 -54.72 7.72 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.793 0.683 . . . . 0.81999999999999995 110.131 178.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.513 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 7.1 m-20 -54.67 -42.6 71.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.518 -0.764 . . . . 0.66000000000000003 111.608 178.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.724 ' HD1' HD23 ' A' ' 44' ' ' LEU . 16.5 t80 -60.89 -54.39 45.61 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.46 0.648 . . . . 0.23000000000000001 109.655 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.724 HD23 ' HD1' ' A' ' 43' ' ' PHE . 2.9 mt -54.32 -33.78 59.6 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 114.224 -1.353 . . . . 0.17000000000000001 109.609 -176.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.612 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 81.0 mtp -60.89 -59.09 5.93 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.469 0.481 . . . . 1.27 110.866 174.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.58 HD13 ' HB2' ' A' ' 62' ' ' PHE . 22.1 mt -48.1 -52.76 19.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.151 -0.931 . . . . 0.14000000000000001 111.88 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.478 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -69.33 -42.37 75.42 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.888 -0.325 . . . . 2.0800000000000001 110.503 -179.481 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.929 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -47.5 -64.19 0.85 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.826 -0.625 . . . . 0.46999999999999997 110.964 176.235 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.531 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 17.0 mtt180 -54.63 -50.97 66.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.045 0.45 . . . . 0.68999999999999995 110.808 -172.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.56 -54.04 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.924 -1.035 . . . . 0.41999999999999998 111.461 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.71 88.36 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.606 0.595 . . . . 0.52000000000000002 112.606 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.929 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 15.5 mt -84.7 -73.95 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.117 -0.233 . . . . 0.46000000000000002 110.583 -172.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.93 39.32 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.467 -0.873 . . . . 0.55000000000000004 112.645 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -122.16 141.87 50.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.014 0.435 . . . . 0.29999999999999999 110.24 178.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -116.53 41.24 2.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.83 0.678 . . . . 1.9299999999999999 112.83 -172.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 3.6 t70 -63.51 125.67 24.98 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.935 -0.765 . . . . 0.93000000000000005 108.935 170.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.584 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.2 p-10 -46.07 -36.05 5.42 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 115.181 1.549 . . . . 0.69999999999999996 115.181 -171.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -62.55 -44.12 97.12 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.663 -0.866 . . . . 2.3100000000000001 108.663 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.72 88.48 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 113.771 -1.558 . . . . 0.13 111.489 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.584 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.8 m -76.06 -37.4 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 119.939 -0.704 . . . . 0.25 110.581 -176.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -70.8 -31.28 67.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 120.879 0.371 . . . . 1.71 110.428 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.58 ' HB2' HD13 ' A' ' 46' ' ' LEU . 81.0 t80 -60.42 -53.25 59.78 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 108.966 -0.753 . . . . 0.17999999999999999 108.966 170.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -48.88 -59.27 3.73 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.72 -1.127 . . . . 1.4399999999999999 110.715 175.374 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.8 t -41.04 -60.11 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.936 0.772 . . . . 1.3 111.996 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.451 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 8.1 t90 -67.8 -53.05 30.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.692 0.282 . . . . 0.23000000000000001 111.572 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.63 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 23.3 t-105 -68.25 -27.24 66.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.375 -0.375 . . . . 0.39000000000000001 111.61 -169.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.544 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 6.2 m120 -90.1 -1.26 57.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.967 0.358 . . . . 0.38 111.967 -176.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -94.01 -15.91 24.39 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.983 0.897 . . . . 0.84999999999999998 109.396 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.98 -64.14 1.35 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.377 -1.283 . . . . 1.7 110.319 -175.16 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -95.59 -64.83 1.02 Allowed 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 114.579 -1.191 . . . . 0.33000000000000002 111.913 -176.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HG2' ' HA ' ' A' ' 67' ' ' ASN . 36.3 mtpt 63.72 85.85 0.13 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.201 -1.363 . . . . 1.2 107.762 -159.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.63 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 4.5 ptt? -34.67 172.73 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 112.218 -2.265 . . . . 1.2 115.938 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -108.97 65.61 0.62 Allowed 'General case' 0 N--CA 1.431 -1.381 0 N-CA-C 106.717 -1.586 . . . . 0.93000000000000005 106.717 -178.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -41.14 84.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 125.977 2.048 . . . . 2.3700000000000001 112.628 -173.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 60.65 19.3 9.29 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.292 0.637 . . . . 2.3799999999999999 112.066 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.766 -0.635 . . . . 1.7 110.074 177.634 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.864 0 N-CA-C 112.002 -0.439 . . . . 1.46 112.002 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.621 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -114.42 -152.27 0.5 Allowed 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 121.61 0.719 . . . . 1.21 111.08 -178.221 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.632 ' HB2' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -139.17 -157.1 0.74 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.555 -1.202 . . . . 0.79000000000000004 109.953 -171.737 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' CD ' ' HB3' ' A' ' 41' ' ' GLU . 11.9 ttp180 -158.55 176.6 12.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.245 -1.391 . . . . 1.6699999999999999 107.245 170.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.91 -62.6 4.19 Favored Glycine 0 CA--C 1.509 -0.324 0 C-N-CA 119.16 -1.495 . . . . 1.3899999999999999 113.845 171.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.632 ' HD3' ' HB2' ' A' ' 12' ' ' TYR . 6.6 ptm180 -65.97 28.5 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 125.175 1.39 . . . . 1.8500000000000001 113.698 -175.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.77 -33.71 1.65 Allowed Glycine 0 C--O 1.227 -0.335 0 C-N-CA 120.626 -0.797 . . . . 1.05 111.202 -172.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 45.6 116.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.873 1.669 . . . . 0.42999999999999999 114.482 176.135 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.38 -24.97 39.39 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.017 -1.447 . . . . 0.34999999999999998 109.868 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.894 HD21 ' HB3' ' A' ' 23' ' ' GLU . 44.5 tp 60.03 -172.17 0.13 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.308 -0.86 . . . . 1.1399999999999999 109.12 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.463 HG22 ' HB2' ' A' ' 23' ' ' GLU . 14.4 t -86.79 177.98 7.14 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 119.273 -0.971 . . . . 0.88 109.472 176.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.16 -50.69 65.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.627 0.251 . . . . 2.1499999999999999 111.36 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -66.95 -63.49 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.119 -0.491 . . . . 2.0499999999999998 111.145 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.894 ' HB3' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -45.53 -48.92 14.19 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.628 0.973 . . . . 2.0099999999999998 113.628 -173.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.83 ' CE2' HG21 ' A' ' 40' ' ' VAL . 30.4 t80 -66.14 -52.77 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.233 0.539 . . . . 0.22 110.579 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.26 -43.87 71.33 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.345 -0.843 . . . . 1.8 110.494 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.697 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 18.3 mm-40 -68.72 -26.13 65.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.582 -0.736 . . . . 1.27 111.749 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CD2' HG23 ' A' ' 40' ' ' VAL . 2.5 t90 -61.48 -38.21 86.47 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.068 0.461 . . . . 0.16 110.323 175.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -63.67 -29.97 71.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.578 -0.737 . . . . 2.6299999999999999 109.373 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.15 -40.4 59.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.949 -0.569 . . . . 0.96999999999999997 110.786 172.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CD2' ' HD2' ' A' ' 43' ' ' PHE . 4.7 t60 -50.81 -42.77 58.53 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.576 -0.284 . . . . 0.14000000000000001 110.287 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.642 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 44.4 t-20 -54.18 -56.75 15.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.798 0.686 . . . . 1.78 110.236 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.56 -59.75 4.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.219 -0.9 . . . . 0.19 112.297 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.4 t -59.34 -39.81 84.34 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.101 0.778 . . . . 0.27000000000000002 113.101 -171.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 28.3 mmm180 -93.92 -3.49 51.58 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.585 -0.446 . . . . 1.04 112.018 -176.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 65.01 22.31 12.4 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.351 0.596 . . . . 1.27 111.314 172.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.67 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -92.82 -163.18 1.01 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.76 -0.655 . . . . 0.35999999999999999 109.426 176.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -148.05 45.52 1.08 Allowed 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.524 -1.288 . . . . 1.0 107.524 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.67 HD22 HD13 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -73.9 155.15 39.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.871 -1.513 . . . . 0.34000000000000002 110.485 -173.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -103.4 155.42 18.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.077 -1.083 . . . . 0.64000000000000001 108.077 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -47.03 -43.53 7.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 114.02 1.119 . . . . 0.19 114.02 -170.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 45' ' ' MET . 39.5 mt-10 -48.93 -50.98 32.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 118.271 0.487 . . . . 0.81999999999999995 110.776 -177.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.605 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 4.2 m-20 -58.86 -38.45 78.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.66000000000000003 111.816 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.628 ' HD1' HD23 ' A' ' 44' ' ' LEU . 54.6 t80 -60.42 -50.11 74.88 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 108.848 -0.797 . . . . 0.23000000000000001 108.848 175.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.806 ' CD2' HD22 ' A' ' 19' ' ' LEU . 1.6 mt -60.54 -33.14 72.23 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.046 -1.434 . . . . 0.17000000000000001 109.99 -174.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.571 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 88.9 mtp -64.68 -57.14 9.84 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.704 0.627 . . . . 1.27 110.464 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 28.6 mt -50.24 -56.78 9.68 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.949 -0.569 . . . . 0.14000000000000001 111.79 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.617 ' HE ' ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -61.44 -43.13 99.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.589 . . . . 2.0800000000000001 110.747 -177.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.924 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -47.5 -64.67 0.72 Allowed 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.749 -0.66 . . . . 0.46999999999999997 110.882 172.28 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 5.9 mtt180 -59.24 -43.19 92.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.108 0.48 . . . . 0.68999999999999995 110.557 -168.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.7 84.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.972 -1.013 . . . . 0.41999999999999998 111.77 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.74 -35.99 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.184 0.439 . . . . 0.52000000000000002 112.184 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.924 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 20.3 mt -71.68 -75.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.517 -0.549 . . . . 0.46000000000000002 109.517 -176.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.62 1.41 0.02 OUTLIER Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.135 -1.031 . . . . 0.55000000000000004 113.173 170.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.576 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -81.08 128.68 33.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.342 0.592 . . . . 0.29999999999999999 111.299 -176.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -108.62 39.53 1.98 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.547 -0.751 . . . . 1.9299999999999999 111.956 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -70.17 121.29 17.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.547 -0.909 . . . . 0.93000000000000005 108.547 173.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.655 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.4 p-10 -38.0 -40.62 0.49 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 116.235 1.939 . . . . 0.69999999999999996 116.235 -170.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.4 p-10 -59.19 -36.4 75.29 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.616 1.098 . . . . 2.3100000000000001 110.131 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -75.06 -33.97 61.76 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.663 -1.153 . . . . 0.13 111.51 176.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.655 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.0 m -75.26 -35.85 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.011 -0.675 . . . . 0.25 110.275 -176.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -70.3 -31.29 68.56 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.171 -0.468 . . . . 1.71 110.082 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' HB2' HD13 ' A' ' 46' ' ' LEU . 83.7 t80 -62.14 -53.75 50.86 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 108.85 -0.796 . . . . 0.17999999999999999 108.85 171.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -50.41 -60.3 3.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.171 -0.922 . . . . 1.4399999999999999 111.156 175.694 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 t -41.87 -51.73 4.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.049 0.843 . . . . 1.3 112.544 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.486 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 5.7 t90 -77.26 -45.41 26.47 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.032 0.382 . . . . 0.23000000000000001 112.032 -177.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.697 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 41.3 t-105 -76.37 -58.39 3.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.45 -0.341 . . . . 0.39000000000000001 111.326 -172.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.521 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 13.8 m120 -54.97 -4.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.236 1.199 . . . . 0.38 114.236 172.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -91.23 -20.19 22.2 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.322 -0.551 . . . . 0.84999999999999998 110.129 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.465 ' HG3' ' H ' ' A' ' 70' ' ' THR . 6.8 ptp180 -112.68 -60.68 1.84 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.927 -0.579 . . . . 1.7 111.622 -178.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.465 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 14.5 m -98.68 -61.3 1.39 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.187 -0.915 . . . . 0.33000000000000002 112.492 -173.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.615 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.5 mtpt 80.69 9.27 1.16 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 114.422 -1.263 . . . . 1.2 111.454 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.695 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 44.77 -164.64 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 115.052 1.501 . . . . 1.2 115.052 168.53 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.409 ' H ' ' HB2' ' A' ' 72' ' ' MET . . . -147.05 23.33 1.2 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.339 -1.3 . . . . 0.93000000000000005 109.913 176.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.8 t30 50.34 -70.4 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 113.369 -1.741 . . . . 2.3700000000000001 112.672 -171.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 73' ' ' ALA . 33.2 t70 -144.21 1.03 1.07 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 123.083 0.553 . . . . 2.3799999999999999 109.865 -175.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.785 -0.626 . . . . 1.7 111.021 -172.699 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 112.229 -0.348 . . . . 1.46 112.229 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.848 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -87.6 -141.66 0.11 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 120.913 0.387 . . . . 1.21 110.451 -178.241 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.703 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.8 m-85 -144.27 -164.65 1.95 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.292 -0.632 . . . . 0.79000000000000004 109.292 -174.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -167.71 119.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.786 -0.643 . . . . 1.6699999999999999 109.802 169.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.512 ' HA2' ' OE1' ' A' ' 41' ' ' GLU . . . 114.68 -45.69 1.27 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.277 -0.963 . . . . 1.3899999999999999 113.145 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.703 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -80.19 56.48 2.46 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.117 0.784 . . . . 1.8500000000000001 113.117 -172.618 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.5 28.13 72.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.103 -1.046 . . . . 1.05 111.557 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.618 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -50.9 137.9 8.04 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 N-CA-C 113.818 1.044 . . . . 0.42999999999999999 113.818 -175.866 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.29 -9.22 12.84 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 113.769 -1.56 . . . . 0.34999999999999998 109.24 174.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.848 ' HA ' HG21 ' A' ' 11' ' ' THR . 3.3 tm? 59.29 172.54 0.07 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.208 -0.906 . . . . 1.1399999999999999 109.601 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.816 ' N ' HD13 ' A' ' 19' ' ' LEU . 7.2 t -60.2 164.51 4.1 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.049 -1.032 . . . . 0.88 110.082 172.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -62.99 -44.26 96.52 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.125 0.787 . . . . 2.1499999999999999 113.125 -163.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.96 -60.73 2.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.855 0.359 . . . . 2.0499999999999998 111.866 -172.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.696 ' OE1' ' HD2' ' A' ' 47' ' ' ARG . 5.5 mt-10 -45.79 -35.87 4.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.438 1.273 . . . . 2.0099999999999998 114.438 -177.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.724 ' CD2' HG21 ' A' ' 40' ' ' VAL . 29.4 t80 -64.56 -58.54 6.08 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.02 -0.425 . . . . 0.22 110.252 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.38 -40.23 64.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.621 0.724 . . . . 1.8 110.936 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.544 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 9.0 mm-40 -68.46 -20.1 64.6 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.596 -0.729 . . . . 1.27 111.983 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.626 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -67.62 -34.05 76.19 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.027 0.442 . . . . 0.16 109.826 172.699 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -59.21 -36.01 74.63 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.671 -0.695 . . . . 2.6299999999999999 109.207 174.749 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -73.88 -38.65 64.35 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.535 -0.757 . . . . 0.96999999999999997 110.88 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -50.55 -42.78 55.77 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 110.18 -0.304 . . . . 0.14000000000000001 110.18 173.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.5 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 3.0 t30 -52.65 -50.34 63.39 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.745 0.653 . . . . 1.78 109.928 175.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.36 -61.06 2.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.035 -0.984 . . . . 0.19 112.358 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.407 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 33.9 t -59.13 -37.4 77.16 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.446 0.906 . . . . 0.27000000000000002 113.446 -169.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.629 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 15.3 mmm180 -93.76 1.8 56.41 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.325 -0.55 . . . . 1.04 111.681 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER 54.73 53.99 9.78 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.208 -0.905 . . . . 1.27 110.433 177.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.663 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -137.37 -175.82 4.19 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.326 -0.99 . . . . 0.35999999999999999 108.326 -177.561 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -146.46 77.25 1.47 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.766 0.793 . . . . 1.0 109.998 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.663 HD22 HD13 ' A' ' 36' ' ' LEU . 2.1 pt? -106.04 155.47 19.37 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.925 -1.034 . . . . 0.34000000000000002 110.566 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.5 m -84.63 167.58 16.1 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 114.944 -1.026 . . . . 0.64000000000000001 108.932 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.724 HG21 ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -63.3 -43.12 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 C-N-CA 120.111 -0.635 . . . . 0.19 110.721 -172.882 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' OE1' ' HA2' ' A' ' 14' ' ' GLY . 36.2 mt-10 -49.68 -50.11 44.89 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.623 0.577 . . . . 0.81999999999999995 110.591 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.534 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.3 m-20 -57.23 -38.79 74.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.777 0.288 . . . . 0.66000000000000003 111.777 177.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.786 ' HD1' HD23 ' A' ' 44' ' ' LEU . 3.7 t80 -62.6 -51.57 66.78 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.107 -0.701 . . . . 0.23000000000000001 109.107 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.786 HD23 ' HD1' ' A' ' 43' ' ' PHE . 2.9 mt -57.09 -31.87 65.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.519 -1.218 . . . . 0.17000000000000001 110.165 -176.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.549 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 59.2 mtm -63.11 -58.47 7.15 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.248 0.342 . . . . 1.27 110.505 171.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 16.9 mt -47.47 -55.14 9.67 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.658 -0.701 . . . . 0.14000000000000001 111.946 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.696 ' HD2' ' OE1' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -64.45 -44.77 90.07 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 116.31 -0.404 . . . . 2.0800000000000001 110.462 -178.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.936 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -47.0 -64.06 0.88 Allowed 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.981 -0.554 . . . . 0.46999999999999997 110.252 174.542 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.582 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 23.4 mtt-85 -57.23 -51.05 70.92 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.234 -0.587 . . . . 0.68999999999999995 110.355 -173.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.28 -59.84 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.288 -0.869 . . . . 0.41999999999999998 111.896 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.535 ' HB1' ' ND2' ' A' ' 74' ' ' ASN . . . -60.09 -31.74 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.016 0.747 . . . . 0.52000000000000002 113.016 -177.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.936 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -87.22 -69.53 0.68 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.627 -0.429 . . . . 0.46000000000000002 110.616 -176.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.89 35.43 0.02 OUTLIER Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.428 -0.892 . . . . 0.55000000000000004 113.191 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.582 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -119.05 141.1 49.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.509 -0.552 . . . . 0.29999999999999999 109.509 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -120.91 47.3 1.84 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.636 0.606 . . . . 1.9299999999999999 112.636 -171.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.464 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 15.3 t70 -66.81 126.56 29.41 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.685 -0.857 . . . . 0.93000000000000005 108.685 168.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.648 ' O ' HG22 ' A' ' 60' ' ' VAL . 7.4 p-10 -45.91 -37.59 6.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 115.146 1.536 . . . . 0.69999999999999996 115.146 -169.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -63.12 -40.31 97.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 119.356 0.98 . . . . 2.3100000000000001 109.152 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 62' ' ' PHE . . . -66.17 -32.46 73.91 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.763 -1.562 . . . . 0.13 111.714 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.8 m -76.19 -37.38 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 C-N-CA 119.76 -0.776 . . . . 0.25 109.813 -177.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 24.0 mtpt -64.69 -30.8 71.83 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.378 0.608 . . . . 1.71 109.9 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.486 ' HB2' HD13 ' A' ' 46' ' ' LEU . 89.1 t80 -64.86 -57.71 8.13 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.19 -0.914 . . . . 0.17999999999999999 108.86 173.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.474 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -50.68 -61.47 2.18 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.266 -0.879 . . . . 1.4399999999999999 111.743 178.233 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.471 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 59.0 m -46.63 -42.7 16.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.974 0.731 . . . . 1.3 112.974 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.629 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 6.5 t90 -81.35 -48.85 11.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.038 0.446 . . . . 0.23000000000000001 111.614 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.544 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 25.8 t-105 -74.62 -24.37 58.85 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.931 -0.577 . . . . 0.39000000000000001 111.523 -172.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 6.3 m120 -92.94 -0.13 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.938 0.399 . . . . 0.38 111.7 -176.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -93.86 -15.93 24.56 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.56 0.695 . . . . 0.84999999999999998 109.203 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.5 ptp180 -114.91 -59.28 2.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.81 -1.086 . . . . 1.7 111.02 -173.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.505 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 22.6 m -102.2 -59.28 1.73 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.477 -1.238 . . . . 0.33000000000000002 111.794 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.565 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.6 mtpt 72.27 26.79 2.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.299 -1.319 . . . . 1.2 109.43 -169.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.629 ' HB2' ' OE2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER 44.59 -165.35 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 113.388 -1.733 . . . . 1.2 115.316 169.564 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.445 ' O ' HG21 ' A' ' 20' ' ' THR . . . -157.07 73.36 0.75 Allowed 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 114.226 -1.352 . . . . 0.93000000000000005 108.377 -178.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.535 ' ND2' ' HB1' ' A' ' 51' ' ' ALA . 35.9 t-20 -28.6 -55.52 0.12 Allowed 'General case' 0 N--CA 1.475 0.795 0 O-C-N 125.119 1.512 . . . . 2.3700000000000001 112.615 -170.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -148.77 23.06 0.99 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.446 0.641 . . . . 2.3799999999999999 109.558 171.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.245 0.844 0 CA-C-N 115.185 -0.916 . . . . 1.7 110.562 -175.337 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 112.072 -0.411 . . . . 1.46 112.072 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.634 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -145.37 -142.64 0.13 Allowed 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.804 -0.813 . . . . 1.21 108.804 176.659 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.614 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-85 -142.77 -167.05 2.42 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.423 -0.584 . . . . 0.79000000000000004 109.423 -177.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' NE ' ' HB3' ' A' ' 41' ' ' GLU . 27.3 ttt180 -156.53 141.67 17.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.499 0.499 . . . . 1.6699999999999999 110.352 167.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.16 -33.95 2.43 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 121.204 -0.522 . . . . 1.3899999999999999 113.668 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.614 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -76.95 47.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.364 0.505 . . . . 1.8500000000000001 112.364 -176.336 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.16 28.95 73.16 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.338 -0.934 . . . . 1.05 111.088 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.535 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -52.67 130.96 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.836 0 CA-C-O 122.281 1.039 . . . . 0.42999999999999999 113.299 -176.278 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.79 -10.14 14.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 113.364 -1.743 . . . . 0.34999999999999998 108.735 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.036 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.3 tm? 59.89 179.48 0.09 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.998 -1.001 . . . . 1.1399999999999999 108.467 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.866 ' N ' HD13 ' A' ' 19' ' ' LEU . 10.1 t -64.59 171.45 3.27 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 120.663 -1.273 . . . . 0.88 109.545 170.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -66.59 -40.15 88.77 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 121.602 -0.686 . . . . 2.1499999999999999 112.732 -167.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -82.01 -64.73 1.12 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.273 0.472 . . . . 2.0499999999999998 112.273 -169.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 1.036 ' HB2' HD11 ' A' ' 19' ' ' LEU . 55.7 mt-10 -46.67 -32.91 3.84 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.825 1.046 . . . . 2.0099999999999998 113.825 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.678 ' CE2' HG21 ' A' ' 40' ' ' VAL . 40.2 t80 -64.45 -58.06 7.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.098 0.475 . . . . 0.22 110.119 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -55.36 -41.21 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.517 0.675 . . . . 1.8 110.668 173.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.579 ' HB3' ' CZ2' ' A' ' 66' ' ' TRP . 6.5 mm-40 -66.83 -22.24 66.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.548 -0.751 . . . . 1.27 111.781 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -64.16 -35.7 81.65 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.024 0.44 . . . . 0.16 109.882 173.454 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -61.03 -36.2 78.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.629 -0.714 . . . . 2.6299999999999999 109.333 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -70.87 -41.94 70.72 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.236 -0.438 . . . . 0.96999999999999997 110.615 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -49.71 -43.28 47.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.501 -0.318 . . . . 0.14000000000000001 110.838 174.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.658 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 8.8 t30 -56.03 -46.79 78.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.262 0.553 . . . . 1.78 110.444 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.84 -60.27 2.81 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.089 -0.959 . . . . 0.19 112.028 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.4 t -60.66 -34.66 74.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.456 0.91 . . . . 0.27000000000000002 113.456 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 23.2 mmm180 -96.82 5.26 50.92 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.973 -0.691 . . . . 1.04 112.78 -175.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.03 56.59 6.87 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.847 -0.615 . . . . 1.27 110.924 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.675 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -140.77 -176.82 4.8 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.766 -0.827 . . . . 0.35999999999999999 108.766 -177.179 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -139.2 68.57 1.37 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.431 -1.322 . . . . 1.0 107.431 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.675 HD22 HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -101.83 144.42 30.52 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.456 -1.247 . . . . 0.34000000000000002 109.473 -173.043 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 m -85.04 168.63 14.73 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.915 -0.772 . . . . 0.64000000000000001 108.915 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.687 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -60.3 -43.19 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 120.534 -0.467 . . . . 0.19 110.396 -174.568 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.592 ' O ' ' HG3' ' A' ' 45' ' ' MET . 51.8 mt-10 -44.06 -57.35 3.43 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 123.985 0.803 . . . . 0.81999999999999995 111.324 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.58 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.1 m-20 -59.29 -35.95 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.66000000000000003 111.974 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.703 ' HD1' HD23 ' A' ' 44' ' ' LEU . 17.0 t80 -60.85 -55.45 32.92 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.15 -0.685 . . . . 0.23000000000000001 109.15 173.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.721 HD22 ' HG ' ' A' ' 19' ' ' LEU . 2.7 mt -53.39 -34.49 57.89 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 114.159 -1.382 . . . . 0.17000000000000001 109.543 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.592 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 87.0 mtp -63.74 -58.58 6.42 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.581 0.551 . . . . 1.27 111.13 174.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 33.2 mt -48.82 -53.07 20.8 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.823 -0.626 . . . . 0.14000000000000001 111.618 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HD2' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -66.27 -42.43 88.46 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.538 -0.301 . . . . 2.0800000000000001 110.39 179.125 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.873 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -46.21 -62.74 1.21 Allowed 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.986 -0.552 . . . . 0.46999999999999997 110.964 174.636 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 17.8 mtt180 -56.92 -45.99 82.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.116 0.484 . . . . 0.68999999999999995 110.602 -175.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.26 -57.15 14.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.159 -0.928 . . . . 0.41999999999999998 111.152 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.02 83.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.79 -0.641 . . . . 0.52000000000000002 112.593 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.873 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 15.4 mt -77.18 -69.06 0.55 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.515 -0.311 . . . . 0.46000000000000002 110.282 -170.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.31 35.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.124 -1.036 . . . . 0.55000000000000004 113.453 173.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -114.85 139.7 49.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.081 0.467 . . . . 0.29999999999999999 110.23 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -119.12 51.23 1.14 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.146 -0.479 . . . . 1.9299999999999999 112.166 -171.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' O ' HG13 ' A' ' 60' ' ' VAL . 20.6 t70 -74.03 128.73 36.3 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.102 -0.703 . . . . 0.93000000000000005 109.102 167.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.595 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.1 p-10 -49.39 -31.69 10.07 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 115.437 1.643 . . . . 0.69999999999999996 115.437 -170.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -64.0 -44.33 92.96 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.579 -0.897 . . . . 2.3100000000000001 108.579 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.2 -35.86 82.38 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.999 -1.455 . . . . 0.13 111.623 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.595 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.4 m -75.14 -36.85 38.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 119.979 -0.689 . . . . 0.25 110.834 -175.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 80.9 mttt -73.34 -29.35 62.61 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.98 -0.288 . . . . 1.71 110.606 175.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.54 ' HB2' HD13 ' A' ' 46' ' ' LEU . 73.3 t80 -58.64 -54.37 47.84 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.408 -0.96 . . . . 0.17999999999999999 108.408 168.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.82 -59.49 4.05 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.99 -1.005 . . . . 1.4399999999999999 111.386 175.111 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -43.12 -54.7 4.26 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.315 0.487 . . . . 1.3 112.315 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.495 ' CE3' ' HB2' ' A' ' 66' ' ' TRP . 7.8 t90 -70.03 -50.74 38.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.426 . . . . 0.23000000000000001 111.801 -178.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.579 ' CZ2' ' HB3' ' A' ' 26' ' ' GLU . 22.2 t-105 -74.24 -24.58 59.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.225 -0.443 . . . . 0.39000000000000001 111.857 -171.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 6.9 m120 -93.83 1.39 56.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.982 0.42 . . . . 0.38 111.742 -176.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -94.14 -16.4 23.78 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.971 -0.752 . . . . 0.84999999999999998 108.971 172.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.512 ' HG3' ' H ' ' A' ' 70' ' ' THR . 9.3 ptp180 -114.42 -62.64 1.57 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.884 -1.053 . . . . 1.7 111.039 -173.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.512 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 25.9 m -99.31 -57.39 2.17 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.64 -1.163 . . . . 0.33000000000000002 111.659 -174.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.545 ' C ' ' HG3' ' A' ' 72' ' ' MET . 30.1 mtpt 74.35 21.16 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 113.994 -1.457 . . . . 1.2 110.229 -173.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.576 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 43.74 -164.48 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.113 1.523 . . . . 1.2 115.113 170.441 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.597 ' HB1' ' HB2' ' A' ' 76' ' ' TYR . . . -163.1 79.94 0.47 Allowed 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.448 -1.251 . . . . 0.93000000000000005 108.504 -173.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -31.96 -56.96 0.3 Allowed 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.978 1.424 . . . . 2.3700000000000001 112.217 -172.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -149.58 32.9 0.71 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.82 -0.807 . . . . 2.3799999999999999 108.82 174.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.597 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 91.0 m-85 . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.188 -0.915 . . . . 1.7 110.267 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.279 -0.328 . . . . 1.46 112.279 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.411 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -156.23 -147.24 0.19 Allowed 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.5 -0.926 . . . . 1.21 108.5 177.341 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.64 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 -141.67 -167.16 2.37 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.021 -0.363 . . . . 0.79000000000000004 110.021 -173.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 33.4 ttp-105 -157.94 141.37 15.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 1.6699999999999999 109.919 168.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.85 -32.84 2.41 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.974 -0.631 . . . . 1.3899999999999999 113.706 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.64 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -80.05 47.57 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.477 0.547 . . . . 1.8500000000000001 112.477 -174.616 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.66 28.42 73.16 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.263 -0.97 . . . . 1.05 111.109 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.566 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -53.14 131.4 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 122.069 0.938 . . . . 0.42999999999999999 113.079 -177.232 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.09 -9.58 13.53 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 113.619 -1.628 . . . . 0.34999999999999998 109.429 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.778 HD22 HD22 ' A' ' 44' ' ' LEU . 59.1 tp 54.77 -169.17 0.07 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.327 -0.851 . . . . 1.1399999999999999 109.317 178.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.602 ' H ' ' HG ' ' A' ' 19' ' ' LEU . 9.0 t -77.06 169.14 18.88 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.802 -1.159 . . . . 0.88 109.719 173.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -58.98 -54.25 49.24 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.809 0.338 . . . . 2.1499999999999999 111.021 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.59 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 28.7 t70 -68.28 -63.06 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.933 -0.576 . . . . 2.0499999999999998 111.403 -174.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.436 ' OE2' ' HB2' ' A' ' 72' ' ' MET . 47.5 mt-10 -49.37 -39.7 33.02 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.523 0.934 . . . . 2.0099999999999998 113.523 -174.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.779 ' CE2' HG21 ' A' ' 40' ' ' VAL . 39.1 t80 -64.83 -54.59 28.63 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.235 0.541 . . . . 0.22 110.023 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.17 -41.36 62.54 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 1.8 111.228 171.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.631 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 13.3 mm-40 -67.75 -24.36 65.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.154 -0.476 . . . . 1.27 111.493 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.596 ' HB2' ' CG ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -62.17 -38.55 89.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.997 0.427 . . . . 0.16 110.02 173.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -62.03 -33.28 74.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.582 -0.735 . . . . 2.6299999999999999 109.55 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -76.18 -39.11 55.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.96999999999999997 110.956 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.456 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 11.4 t-160 -49.84 -41.37 44.87 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.355 -0.239 . . . . 0.14000000000000001 110.355 172.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.434 ' HA ' HD12 ' A' ' 36' ' ' LEU . 26.4 t-20 -55.09 -51.36 66.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.905 -0.589 . . . . 1.78 110.063 175.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.89 -60.95 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.135 -0.939 . . . . 0.19 112.396 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.3 t -57.18 -45.91 83.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.855 0.687 . . . . 0.27000000000000002 112.855 -172.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -84.75 -4.01 58.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.659 -0.416 . . . . 1.04 111.355 -177.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp 61.07 26.24 16.19 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.828 -0.624 . . . . 1.27 111.387 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.533 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -103.0 -168.36 1.51 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.565 -0.743 . . . . 0.35999999999999999 110.194 -179.309 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -143.38 105.9 4.45 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 108.991 -0.744 . . . . 1.0 108.991 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 36' ' ' LEU . 1.6 pt? -138.59 160.75 38.83 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.817 -0.629 . . . . 0.34000000000000002 110.505 -175.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -97.04 175.95 6.13 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.864 -1.062 . . . . 0.64000000000000001 108.593 171.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.779 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.54 -39.93 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 C-N-CA 120.16 -0.616 . . . . 0.19 110.837 -172.805 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 40.7 mt-10 -49.06 -48.48 44.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.425 0.453 . . . . 0.81999999999999995 110.725 178.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.497 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.1 m-20 -53.12 -47.33 68.73 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.892 -0.594 . . . . 0.66000000000000003 111.222 176.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.596 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 39.3 t80 -59.33 -52.08 67.18 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-O 121.487 0.66 . . . . 0.23000000000000001 109.558 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.778 HD22 HD22 ' A' ' 19' ' ' LEU . 2.5 mt -56.53 -35.15 67.76 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 114.055 -1.43 . . . . 0.17000000000000001 109.915 -174.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.525 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 78.8 mtm -66.79 -58.55 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.457 0.473 . . . . 1.27 111.643 175.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 62' ' ' PHE . 16.6 mt -49.23 -53.33 22.03 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.459 0.647 . . . . 0.14000000000000001 110.733 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.518 HH21 ' N ' ' A' ' 75' ' ' ASP . 3.9 ttt180 -58.99 -54.57 45.64 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.787 -1.097 . . . . 2.0800000000000001 110.647 177.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.882 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.2 m170 -39.57 -62.64 0.66 Allowed 'General case' 0 C--O 1.217 -0.645 0 O-C-N 124.021 0.826 . . . . 0.46999999999999997 111.689 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.545 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 8.4 mtt180 -57.53 -45.81 84.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.899 0.381 . . . . 0.68999999999999995 110.442 -171.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.49 -57.04 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 0.41999999999999998 111.093 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.1 -45.01 61.37 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.261 0.625 . . . . 0.52000000000000002 112.368 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.882 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.4 mt -83.9 -76.55 0.29 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.238 -0.437 . . . . 0.46000000000000002 110.648 -172.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.81 14.14 0.02 OUTLIER Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.205 -0.998 . . . . 0.55000000000000004 113.709 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.545 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -94.01 141.43 28.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.22 0.51 . . . . 0.29999999999999999 110.855 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -123.2 48.76 1.77 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.458 0.54 . . . . 1.9299999999999999 112.458 -176.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.33 127.52 33.33 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.657 -0.868 . . . . 0.93000000000000005 108.657 169.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.622 ' O ' HG22 ' A' ' 60' ' ' VAL . 3.7 p-10 -37.4 -46.63 0.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.793 2.146 . . . . 0.69999999999999996 116.793 -169.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -59.18 -37.2 76.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.766 1.166 . . . . 2.3100000000000001 110.104 -176.591 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -72.0 -33.1 67.83 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.172 -1.376 . . . . 0.13 111.863 176.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 57' ' ' ASN . 3.6 m -75.2 -37.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.788 -0.765 . . . . 0.25 110.039 -176.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -65.2 -33.65 76.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.307 0.575 . . . . 1.71 110.062 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.513 ' HB2' HD13 ' A' ' 46' ' ' LEU . 75.2 t80 -62.08 -55.52 28.17 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.386 -0.825 . . . . 0.17999999999999999 109.331 173.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -60.65 2.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.235 -0.893 . . . . 1.4399999999999999 111.075 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.1 m -47.68 -35.96 10.37 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.568 0.951 . . . . 1.3 113.568 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.49 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 6.7 t90 -86.24 -48.48 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.179 -0.325 . . . . 0.23000000000000001 111.577 177.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.64 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 31.1 t-105 -74.03 -22.29 59.62 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 122.695 0.398 . . . . 0.39000000000000001 111.834 -170.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -96.37 1.06 51.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.103 0.477 . . . . 0.38 111.25 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.5 m -92.45 -17.7 24.21 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.529 0.681 . . . . 0.84999999999999998 109.683 172.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.52 -65.75 1.15 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.999 -1.0 . . . . 1.7 110.898 -174.391 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 31.8 m -96.15 -58.75 2.0 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.625 -1.17 . . . . 0.33000000000000002 112.185 -173.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.61 ' C ' ' HG3' ' A' ' 72' ' ' MET . 23.9 mtmt 72.99 25.9 2.3 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 124.285 0.991 . . . . 1.2 110.748 -171.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.64 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 42.48 -162.97 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.151 1.538 . . . . 1.2 115.151 171.053 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 75' ' ' ASP . . . -156.03 71.49 0.73 Allowed 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.601 -1.182 . . . . 0.93000000000000005 108.794 -175.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.443 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 4.9 m-80 -30.55 80.38 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 O-C-N 125.771 1.919 . . . . 2.3700000000000001 113.136 -173.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.542 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 1.8 p30 44.27 36.43 1.56 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.7 0.8 . . . . 2.3799999999999999 112.064 -177.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.296 -0.859 . . . . 1.7 110.177 173.316 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 111.902 -0.479 . . . . 1.46 111.902 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.556 HG21 ' CA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -105.13 -150.44 0.43 Allowed 'General case' 0 N--CA 1.44 -0.951 0 CA-C-O 121.207 0.527 . . . . 1.21 110.633 -179.222 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.603 ' HB2' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -138.25 -155.77 0.63 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.449 -0.796 . . . . 0.79000000000000004 110.203 -171.761 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' HG3' ' HG3' ' A' ' 45' ' ' MET . 4.7 tmm_? -170.04 138.83 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.062 -1.088 . . . . 1.6699999999999999 108.062 172.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.438 ' N ' ' HD2' ' A' ' 13' ' ' ARG . . . 89.82 54.61 2.16 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 119.45 -1.357 . . . . 1.3899999999999999 112.982 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.603 ' HD3' ' HB2' ' A' ' 12' ' ' TYR . 10.0 ptm180 -178.61 24.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.702 0.287 . . . . 1.8500000000000001 111.276 -174.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.91 28.66 73.88 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.048 -1.072 . . . . 1.05 110.506 -173.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.618 HG21 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -38.36 139.31 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 113.868 1.062 . . . . 0.42999999999999999 113.868 -179.486 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.51 -13.23 18.74 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.12 -1.4 . . . . 0.34999999999999998 110.191 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.105 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 61.8 175.15 0.12 Allowed 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.917 0.761 . . . . 1.1399999999999999 109.028 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.861 ' N ' HD13 ' A' ' 19' ' ' LEU . 9.3 t -65.89 -169.83 0.07 Allowed 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.143 -0.973 . . . . 0.88 109.48 168.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -73.91 -57.33 4.05 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.126 -0.984 . . . . 2.1499999999999999 112.918 -172.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.2 m-20 -66.87 -64.73 0.79 Allowed 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.976 0.732 . . . . 2.0499999999999998 112.976 -170.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 1.105 ' HB2' HD11 ' A' ' 19' ' ' LEU . 2.1 mp0 -46.14 -31.94 2.67 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.443 1.275 . . . . 2.0099999999999998 114.443 -174.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.646 ' CD2' HG21 ' A' ' 40' ' ' VAL . 32.7 t80 -69.05 -52.34 29.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 118.421 0.555 . . . . 0.22 109.541 -178.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.95 -45.98 82.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.66 -0.7 . . . . 1.8 110.346 171.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.622 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.1 mm-40 -67.45 -24.3 65.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.507 -0.769 . . . . 1.27 111.637 -176.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.673 ' CD2' HG23 ' A' ' 40' ' ' VAL . 2.3 t90 -63.76 -37.54 87.74 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.963 0.411 . . . . 0.16 110.241 174.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 64.6 mtm180 -59.2 -37.73 78.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.744 -0.662 . . . . 2.6299999999999999 109.41 176.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -72.25 -41.16 67.1 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.98 -0.555 . . . . 0.96999999999999997 110.773 174.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 4.6 t60 -47.63 -39.52 17.19 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.396 -0.366 . . . . 0.14000000000000001 110.537 172.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.614 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 31.7 m-80 -58.14 -49.86 75.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 1.78 110.609 176.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.07 -60.67 2.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.472 -0.785 . . . . 0.19 111.537 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -57.6 -32.8 67.55 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.172 0.805 . . . . 0.27000000000000002 113.172 -172.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.415 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 17.4 mmm180 -101.73 1.14 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.682 -0.407 . . . . 1.04 111.904 -177.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.38 26.76 16.5 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 122.868 0.467 . . . . 1.27 111.695 171.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.614 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -106.49 -167.07 1.25 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.14 0.495 . . . . 0.35999999999999999 110.162 178.731 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -144.62 42.66 1.36 Allowed 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.953 -1.129 . . . . 1.0 107.953 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.614 HD22 HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -74.39 151.27 39.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.071 -1.422 . . . . 0.34000000000000002 110.424 -174.78 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.0 m -87.3 169.68 12.09 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.457 -0.572 . . . . 0.64000000000000001 109.457 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' CD2' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -64.62 -44.81 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 C-N-CA 120.54 -0.464 . . . . 0.19 110.415 -173.682 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 45' ' ' MET . 10.4 mt-10 -53.22 -46.12 68.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.953 -0.567 . . . . 0.81999999999999995 110.846 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.1 m-20 -56.32 -42.39 77.58 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.221 -0.192 . . . . 0.66000000000000003 111.277 174.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.659 ' CE1' ' HB3' ' A' ' 23' ' ' GLU . 2.2 t80 -60.3 -54.2 48.56 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.319 0.581 . . . . 0.23000000000000001 109.704 175.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.62 HD22 ' HG ' ' A' ' 19' ' ' LEU . 4.3 mt -55.85 -30.09 60.91 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 114.653 -1.158 . . . . 0.17000000000000001 110.418 -173.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.617 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 73.3 mtm -64.66 -55.64 18.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.796 0.685 . . . . 1.27 110.042 173.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 62' ' ' PHE . 21.4 mt -49.22 -56.15 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.453 -0.794 . . . . 0.14000000000000001 111.712 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.564 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -67.22 -44.26 79.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.505 -0.316 . . . . 2.0800000000000001 111.113 -179.028 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.885 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -41.88 -62.8 0.83 Allowed 'General case' 0 C--O 1.219 -0.53 0 O-C-N 123.38 0.425 . . . . 0.46999999999999997 110.475 171.804 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.617 ' HG3' ' O ' ' A' ' 45' ' ' MET . 23.2 mtt-85 -58.27 -43.33 87.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.907 0.384 . . . . 0.68999999999999995 110.575 -172.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.86 -57.43 12.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 0.41999999999999998 111.326 178.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.86 82.56 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.583 0.586 . . . . 0.52000000000000002 112.583 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.885 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 18.5 mt -78.14 -74.75 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.69 -0.232 . . . . 0.46000000000000002 110.6 -174.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.48 14.32 0.02 OUTLIER Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.114 -1.041 . . . . 0.55000000000000004 113.599 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -95.48 135.21 37.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.232 0.516 . . . . 0.29999999999999999 110.807 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.69 48.08 1.18 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 1.9299999999999999 111.348 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.1 128.35 35.29 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.039 -0.726 . . . . 0.93000000000000005 109.039 172.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.651 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.6 p-10 -39.51 -45.62 1.59 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 116.649 2.092 . . . . 0.69999999999999996 116.649 -170.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -63.02 -35.69 81.06 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.537 1.062 . . . . 2.3100000000000001 109.957 -177.708 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.02 -36.51 72.42 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.511 -1.222 . . . . 0.13 111.544 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.5 m -75.95 -37.9 34.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 119.948 -0.701 . . . . 0.25 110.432 -176.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 81.5 mttt -70.04 -29.98 67.15 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.384 -0.371 . . . . 1.71 110.681 175.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.623 ' HB2' HD13 ' A' ' 46' ' ' LEU . 75.8 t80 -61.71 -55.12 33.72 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.793 -0.817 . . . . 0.17999999999999999 108.793 169.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -48.56 -58.77 4.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.725 -1.125 . . . . 1.4399999999999999 111.004 176.3 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.9 t -40.41 -47.59 2.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.716 -0.674 . . . . 1.3 112.716 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.566 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.3 t90 -80.53 -47.24 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.902 0.334 . . . . 0.23000000000000001 111.902 -178.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 44.4 t-105 -79.55 -24.77 41.92 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 111.902 0.334 . . . . 0.39000000000000001 111.902 -170.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 6.6 m120 -93.74 -2.51 53.65 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 121.383 0.611 . . . . 0.38 110.729 -176.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -93.43 -15.41 25.64 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.6 0.714 . . . . 0.84999999999999998 109.158 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 7.7 ptp180 -113.19 -61.59 1.72 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.072 -0.967 . . . . 1.7 110.675 -176.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.523 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 19.6 m -103.71 -60.73 1.52 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.874 -1.057 . . . . 0.33000000000000002 112.191 -173.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.484 ' C ' ' HG2' ' A' ' 72' ' ' MET . 45.9 mtpt 74.64 26.74 1.39 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.467 -1.242 . . . . 1.2 110.176 -171.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.577 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 13.7 ptt? 46.98 -169.33 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.584 1.177 . . . . 1.2 113.903 172.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -141.25 66.88 1.35 Allowed 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.79 -1.096 . . . . 0.93000000000000005 108.603 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -11.2 -70.91 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 O-C-N 125.58 1.8 . . . . 2.3700000000000001 113.729 -171.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -138.56 24.55 2.66 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.196 0.522 . . . . 2.3799999999999999 109.698 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 C--O 1.245 0.817 0 CA-C-N 115.768 -0.651 . . . . 1.7 110.773 -174.332 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.837 -0.505 . . . . 1.46 111.837 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.706 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -127.96 -157.27 0.8 Allowed 'General case' 0 N--CA 1.438 -1.061 0 CA-C-O 121.788 0.804 . . . . 1.21 110.733 -178.611 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.556 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.5 m-85 -132.6 -162.34 1.22 Allowed 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.16 -1.382 . . . . 0.79000000000000004 108.579 -177.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' CD ' ' HB3' ' A' ' 41' ' ' GLU . 5.3 tmm_? -166.91 125.66 1.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.986 -0.746 . . . . 1.6699999999999999 108.986 169.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.699 ' HA2' ' OE2' ' A' ' 41' ' ' GLU . . . 109.39 -43.83 1.63 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.183 -1.008 . . . . 1.3899999999999999 113.155 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.556 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -77.69 47.64 0.63 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.048 0.759 . . . . 1.8500000000000001 113.048 -173.279 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 63.42 29.18 73.8 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.346 -0.93 . . . . 1.05 111.249 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.521 HG21 HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -45.29 134.42 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 113.608 0.966 . . . . 0.42999999999999999 113.608 -177.815 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.44 -16.77 14.46 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.05 -1.432 . . . . 0.34999999999999998 109.4 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.089 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.53 173.6 0.14 Allowed 'General case' 0 CA--C 1.544 0.735 0 O-C-N 123.991 0.807 . . . . 1.1399999999999999 109.195 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.872 ' N ' HD13 ' A' ' 19' ' ' LEU . 3.3 t -62.09 158.56 16.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.782 -1.198 . . . . 0.88 110.106 171.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -57.48 -43.66 84.3 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.397 0.517 . . . . 2.1499999999999999 112.397 -171.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.13 -64.32 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.384 0.513 . . . . 2.0499999999999998 112.384 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 1.089 ' HB2' HD11 ' A' ' 19' ' ' LEU . 31.6 mm-40 -50.37 -34.45 24.15 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.324 0.861 . . . . 2.0099999999999998 113.324 -174.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.751 ' CE2' HG21 ' A' ' 40' ' ' VAL . 31.4 t80 -63.57 -58.23 7.62 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.122 0.487 . . . . 0.22 110.005 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -52.88 -43.97 66.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.312 0.577 . . . . 1.8 110.951 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.592 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 8.9 mm-40 -63.55 -24.92 68.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.782 -0.644 . . . . 1.27 111.703 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.589 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -62.9 -37.56 87.43 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.826 0.346 . . . . 0.16 110.287 174.815 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 34.4 mtm180 -59.92 -36.63 77.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.734 -0.666 . . . . 2.6299999999999999 109.499 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -74.37 -37.57 63.43 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.048 -0.524 . . . . 0.96999999999999997 110.773 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.466 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.4 t-160 -49.71 -39.3 36.51 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.692 -0.231 . . . . 0.14000000000000001 110.545 172.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.49 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 17.6 m-80 -56.21 -51.63 67.37 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.531 0.519 . . . . 1.78 110.183 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.94 -61.3 2.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.171 -0.922 . . . . 0.19 112.227 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.416 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 22.2 t -58.35 -36.51 73.54 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.998 0.74 . . . . 0.27000000000000002 112.998 -171.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -91.25 -4.72 55.7 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.595 -0.442 . . . . 1.04 111.764 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 55.51 52.52 11.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.147 -0.933 . . . . 1.27 111.045 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.656 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -134.93 -173.14 3.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.454 -0.794 . . . . 0.35999999999999999 109.311 -176.83 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.07 105.74 4.69 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.656 HD22 HD13 ' A' ' 36' ' ' LEU . 2.1 pt? -138.8 158.29 44.49 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.535 -0.757 . . . . 0.34000000000000002 110.179 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.9 m -93.66 173.64 7.58 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.94 -1.027 . . . . 0.64000000000000001 108.917 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.751 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.06 -44.23 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 C-N-CA 120.028 -0.669 . . . . 0.19 111.013 -169.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.699 ' OE2' ' HA2' ' A' ' 14' ' ' GLY . 16.5 mt-10 -47.63 -49.54 26.89 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.563 0.54 . . . . 0.81999999999999995 110.463 177.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.479 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 39.6 m-20 -57.77 -40.09 79.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.987 -0.551 . . . . 0.66000000000000003 111.063 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.731 ' HD1' HD23 ' A' ' 44' ' ' LEU . 12.7 t80 -62.06 -53.63 52.71 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.395 0.617 . . . . 0.23000000000000001 109.539 175.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.778 HD22 ' HG ' ' A' ' 19' ' ' LEU . 2.7 mt -57.0 -29.81 63.62 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 114.477 -1.238 . . . . 0.17000000000000001 109.937 -175.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 94.7 mtp -62.64 -57.18 11.98 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.477 0.486 . . . . 1.27 110.062 173.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.496 HD13 ' HB2' ' A' ' 62' ' ' PHE . 23.3 mt -52.12 -54.67 27.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.327 -0.851 . . . . 0.14000000000000001 111.746 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.543 HH11 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -63.2 -45.75 90.26 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.769 -0.372 . . . . 2.0800000000000001 110.637 -179.818 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.919 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -45.33 -62.39 1.29 Allowed 'General case' 0 C--O 1.216 -0.672 0 O-C-N 123.587 0.554 . . . . 0.46999999999999997 111.299 174.341 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 4.2 mtt180 -53.88 -49.68 67.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.625 -0.43 . . . . 0.68999999999999995 110.743 -172.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.89 -54.75 43.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.781 -0.645 . . . . 0.41999999999999998 111.038 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.54 -36.68 69.52 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.054 0.761 . . . . 0.52000000000000002 113.054 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.919 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.2 mt -88.64 -65.2 1.04 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.574 -0.285 . . . . 0.46000000000000002 110.51 -173.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.44 17.63 0.02 OUTLIER Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.189 -1.005 . . . . 0.55000000000000004 113.537 171.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.539 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -99.72 135.16 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.133 0.492 . . . . 0.29999999999999999 111.074 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.37 52.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.438 0.637 . . . . 1.9299999999999999 111.142 -176.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.98 129.44 38.12 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.193 -0.912 . . . . 0.93000000000000005 109.388 170.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.663 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.6 p-10 -40.93 -43.77 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 115.434 1.642 . . . . 0.69999999999999996 115.434 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' C ' HD22 ' A' ' 46' ' ' LEU . 4.5 m-20 -61.76 -38.61 88.63 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.067 0.849 . . . . 2.3100000000000001 109.804 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.33 -34.0 67.74 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.161 -1.381 . . . . 0.13 111.746 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.663 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.3 m -78.3 -35.84 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 119.558 -0.857 . . . . 0.25 110.389 -177.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -72.06 -21.07 61.57 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.212 0.529 . . . . 1.71 110.295 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.496 ' HB2' HD13 ' A' ' 46' ' ' LEU . 72.0 t80 -70.55 -55.67 8.34 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.63 -0.878 . . . . 0.17999999999999999 108.63 168.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -48.66 -61.75 1.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.122 -0.945 . . . . 1.4399999999999999 111.464 177.32 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 43.0 p -43.55 -56.66 3.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.842 0.714 . . . . 1.3 112.353 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.466 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 10.1 t90 -64.9 -51.73 60.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.411 -0.359 . . . . 0.23000000000000001 111.672 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 11.2 t-105 -69.27 -24.46 63.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.593 -0.276 . . . . 0.39000000000000001 111.147 -171.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 22.0 m-80 -96.21 2.96 53.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.258 0.552 . . . . 0.38 111.119 -175.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.3 m -93.38 -18.91 21.85 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.891 0.853 . . . . 0.84999999999999998 109.241 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.73 -67.46 1.0 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.657 -1.156 . . . . 1.7 111.039 -175.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.0 m -93.13 -58.64 2.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.602 -1.181 . . . . 0.33000000000000002 111.796 -174.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.574 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.9 mtpt 73.72 22.94 2.44 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 114.563 -1.199 . . . . 1.2 109.661 -172.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.574 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 42.86 -167.5 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 113.857 -1.519 . . . . 1.2 115.096 172.801 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -130.45 23.06 5.13 Favored 'General case' 0 CA--C 1.494 -1.174 0 CA-C-N 113.788 -1.551 . . . . 0.93000000000000005 109.075 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 49.96 -80.49 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.114 -1.857 . . . . 2.3700000000000001 110.732 -172.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -148.79 23.83 0.97 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.619 -0.512 . . . . 2.3799999999999999 109.619 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.227 -0.892 . . . . 1.7 110.469 -178.641 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 111.895 -0.482 . . . . 1.46 111.895 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.625 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -145.2 -147.76 0.22 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 109.625 -0.509 . . . . 1.21 109.625 179.719 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.536 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.0 m-85 -140.27 -165.31 1.88 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.003 -0.544 . . . . 0.79000000000000004 109.899 -176.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 9.6 ttp180 -158.52 139.85 13.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.575 -0.739 . . . . 1.6699999999999999 110.155 169.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.17 -30.97 2.92 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.94 -0.648 . . . . 1.3899999999999999 113.889 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.536 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -78.55 47.5 0.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.341 0.497 . . . . 1.8500000000000001 112.341 -176.174 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.73 29.09 74.31 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.319 -0.943 . . . . 1.05 110.913 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.509 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -49.51 129.0 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 N-CA-C 113.39 0.885 . . . . 0.42999999999999999 113.39 -175.718 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.1 -15.66 15.02 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.076 -1.42 . . . . 0.34999999999999998 108.875 174.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.856 HD11 ' HB3' ' A' ' 23' ' ' GLU . 3.4 tm? 61.65 170.12 0.11 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.005 -0.998 . . . . 1.1399999999999999 109.283 175.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.845 ' N ' HD13 ' A' ' 19' ' ' LEU . 9.0 t -58.47 162.38 3.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 120.938 -1.101 . . . . 0.88 110.002 172.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -63.72 -53.56 49.22 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.066 0.395 . . . . 2.1499999999999999 112.066 -167.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.7 m-20 -64.15 -64.14 0.96 Allowed 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.465 -0.334 . . . . 2.0499999999999998 111.455 -175.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.856 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -44.29 -41.07 5.69 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.438 0.903 . . . . 2.0099999999999998 113.438 -176.242 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.7 ' CE2' HG21 ' A' ' 40' ' ' VAL . 45.7 t80 -67.34 -49.82 62.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.412 0.625 . . . . 0.22 110.276 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -58.09 -42.99 86.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.365 -0.834 . . . . 1.8 109.661 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.61 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.8 mm-40 -70.64 -21.73 62.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.099 -0.955 . . . . 1.27 111.301 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CD2' HG23 ' A' ' 40' ' ' VAL . 2.3 t90 -63.12 -38.11 89.89 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.195 0.521 . . . . 0.16 109.835 173.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -60.95 -36.95 80.71 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.292 -0.867 . . . . 2.6299999999999999 109.567 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -74.1 -37.08 64.26 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.02 -0.537 . . . . 0.96999999999999997 110.737 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.443 ' CD2' ' HD2' ' A' ' 43' ' ' PHE . 9.4 t60 -52.66 -40.94 63.34 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.402 -0.363 . . . . 0.14000000000000001 110.117 173.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.618 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 8.9 t30 -54.78 -50.7 67.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.761 -0.654 . . . . 1.78 110.383 175.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.56 -59.79 3.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.387 -0.824 . . . . 0.19 112.077 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.413 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 33.1 t -62.12 -28.56 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.841 0.682 . . . . 0.27000000000000002 112.841 -171.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -101.11 1.88 39.71 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.92 -0.488 . . . . 1.04 111.561 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 57.93 27.19 14.32 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.204 0.602 . . . . 1.27 111.591 172.417 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.714 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -106.12 -171.69 1.95 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.693 -0.685 . . . . 0.35999999999999999 109.542 178.177 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -140.63 53.14 1.61 Allowed 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.714 HD22 HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -85.09 149.37 25.6 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.34 -1.3 . . . . 0.34000000000000002 110.272 -172.694 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -88.68 169.99 11.19 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.252 -0.647 . . . . 0.64000000000000001 109.252 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.777 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -64.17 -41.46 92.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 120.579 -0.448 . . . . 0.19 110.969 -170.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' O ' ' HG3' ' A' ' 45' ' ' MET . 46.1 mt-10 -47.08 -54.84 9.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.739 0.65 . . . . 0.81999999999999995 111.225 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.619 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 1.6 m-20 -54.25 -43.49 70.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.37 -0.377 . . . . 0.66000000000000003 111.855 176.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.75 ' HD1' HD23 ' A' ' 44' ' ' LEU . 13.3 t80 -59.16 -52.84 63.97 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.274 0.559 . . . . 0.23000000000000001 109.698 177.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.824 HD22 ' HG ' ' A' ' 19' ' ' LEU . 2.7 mt -54.64 -34.99 63.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.504 -1.226 . . . . 0.17000000000000001 109.744 -177.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.598 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 79.5 mtp -64.35 -57.47 9.27 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.325 0.391 . . . . 1.27 110.608 173.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 21.7 mt -46.88 -54.62 9.57 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.729 -0.669 . . . . 0.14000000000000001 111.752 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.584 HH11 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.85 -42.7 90.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.178 -0.465 . . . . 2.0800000000000001 110.341 -178.793 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.905 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.4 m170 -48.3 -65.23 0.6 Allowed 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.402 -0.817 . . . . 0.46999999999999997 110.655 173.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 45' ' ' MET . 4.5 mtt180 -57.2 -47.9 80.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.36 0.6 . . . . 0.68999999999999995 110.042 -173.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.26 -57.58 9.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.212 -1.358 . . . . 0.41999999999999998 112.187 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.06 -31.09 55.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 112.956 0.725 . . . . 0.52000000000000002 112.956 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.905 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 22.7 mt -76.3 -74.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.135 -0.626 . . . . 0.46000000000000002 110.087 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.97 35.71 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.325 -0.941 . . . . 0.55000000000000004 112.825 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -119.69 138.92 52.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.464 -0.569 . . . . 0.29999999999999999 109.464 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -124.6 49.99 1.76 Allowed 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.574 -0.451 . . . . 1.9299999999999999 111.888 -172.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -72.47 134.55 45.38 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.557 -0.905 . . . . 0.93000000000000005 108.557 170.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.0 p-10 -46.2 -39.28 9.52 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 115.623 1.712 . . . . 0.69999999999999996 115.623 -168.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.5 p30 -61.34 -42.75 99.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.521 1.055 . . . . 2.3100000000000001 109.416 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -67.57 -32.49 73.29 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.262 -1.336 . . . . 0.13 111.983 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.44 HG22 ' HA ' ' A' ' 57' ' ' ASN . 1.7 m -79.03 -36.56 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 119.411 -0.915 . . . . 0.25 110.133 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -71.67 -20.65 61.91 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.224 0.535 . . . . 1.71 109.941 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.592 ' HB2' HD13 ' A' ' 46' ' ' LEU . 88.6 t80 -71.69 -57.37 4.43 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.554 -0.906 . . . . 0.17999999999999999 108.554 167.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.2 tmt_? -47.41 -62.23 1.53 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.127 -0.942 . . . . 1.4399999999999999 111.839 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.471 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 7.7 p -45.39 -57.04 4.35 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 123.546 0.529 . . . . 1.3 112.375 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.485 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 10.7 t90 -61.06 -51.46 69.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.62 0.248 . . . . 0.23000000000000001 111.563 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.61 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 12.0 t-105 -72.05 -26.16 62.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.308 -0.406 . . . . 0.39000000000000001 111.616 -172.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 16.8 m-80 -93.52 2.65 56.35 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.201 0.524 . . . . 0.38 111.183 -175.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 55.3 m -93.49 -18.14 22.63 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.693 0.758 . . . . 0.84999999999999998 109.5 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -114.73 -67.78 0.97 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.775 -1.102 . . . . 1.7 110.684 -174.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 m -92.11 -58.74 2.3 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.535 -1.211 . . . . 0.33000000000000002 112.007 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.598 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.0 mtpt 74.72 21.94 2.07 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 114.444 -1.253 . . . . 1.2 110.166 -172.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.598 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 42.52 -164.14 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 O-C-N 124.945 1.403 . . . . 1.2 114.395 172.792 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.3 33.24 0.58 Allowed 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 114.724 -1.125 . . . . 0.93000000000000005 110.166 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.5 t30 43.66 -89.93 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.451 -1.25 . . . . 2.3700000000000001 111.393 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -138.28 31.21 2.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.092 -0.336 . . . . 2.3799999999999999 110.092 175.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.471 -0.776 . . . . 1.7 110.508 -178.626 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.844 -0.503 . . . . 1.46 111.844 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.623 HG21 ' HA ' ' A' ' 19' ' ' LEU . 4.5 m -104.18 61.83 0.73 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.696 0.628 . . . . 1.21 112.696 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.566 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 0.9 OUTLIER 50.72 -165.6 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.082 0.771 . . . . 0.79000000000000004 113.082 169.587 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HA ' HG11 ' A' ' 17' ' ' VAL . 14.1 ttp180 -171.5 136.62 1.0 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.35 -0.841 . . . . 1.6699999999999999 109.806 168.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.82 -28.11 2.87 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.871 -0.68 . . . . 1.3899999999999999 113.907 174.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.587 ' HD3' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -80.67 51.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.328 0.585 . . . . 1.8500000000000001 111.791 -177.502 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.94 28.23 73.21 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.302 -0.952 . . . . 1.05 111.117 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.527 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 1.2 m -56.05 129.83 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.876 0 CA-C-O 122.356 1.074 . . . . 0.42999999999999999 113.345 -174.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.02 -9.49 15.08 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 113.164 -1.834 . . . . 0.34999999999999998 108.327 172.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.974 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.01 172.09 0.13 Allowed 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.819 -1.082 . . . . 1.1399999999999999 109.088 175.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.839 ' N ' HD13 ' A' ' 19' ' ' LEU . 8.1 t -61.08 169.29 2.08 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.041 -1.037 . . . . 0.88 109.866 172.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.58 -55.88 20.27 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 113.293 0.849 . . . . 2.1499999999999999 113.293 -165.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.6 -56.47 4.79 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.097 -0.241 . . . . 2.0499999999999998 111.639 -171.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.974 ' HB2' HD11 ' A' ' 19' ' ' LEU . 32.6 mm-40 -45.92 -38.97 8.14 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.934 1.087 . . . . 2.0099999999999998 113.934 -176.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.753 ' CE2' HG21 ' A' ' 40' ' ' VAL . 40.6 t80 -64.22 -57.64 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.116 0.484 . . . . 0.22 110.175 -178.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.94 -41.74 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.816 -0.629 . . . . 1.8 110.741 171.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.598 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 7.0 mm-40 -72.24 -18.51 61.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.752 -0.658 . . . . 1.27 112.229 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.662 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -65.28 -35.44 81.04 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.648 -0.501 . . . . 0.16 109.648 172.34 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 47.6 mtm180 -65.15 -31.67 72.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.575 -0.739 . . . . 2.6299999999999999 109.473 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -77.21 -35.44 55.62 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.676 -0.41 . . . . 0.96999999999999997 110.685 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.55 ' CD2' ' HD2' ' A' ' 43' ' ' PHE . 9.4 t60 -53.12 -40.08 63.93 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.617 -0.512 . . . . 0.14000000000000001 109.617 172.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.699 ' ND2' ' HA ' ' A' ' 37' ' ' ASP . 24.2 t-20 -51.61 -53.13 41.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.524 -0.762 . . . . 1.78 109.997 172.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.11 -60.72 2.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.033 -0.985 . . . . 0.19 112.345 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.411 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 35.0 t -60.5 -32.33 71.34 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.68 0.622 . . . . 0.27000000000000002 112.68 -170.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -96.42 -0.33 49.38 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.668 -0.413 . . . . 1.04 111.69 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 61.51 21.86 12.41 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.047 -0.524 . . . . 1.27 111.668 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.637 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -102.48 -168.46 1.53 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.145 -0.687 . . . . 0.35999999999999999 109.145 176.466 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.699 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 24.3 t70 -148.06 47.44 1.07 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.025 -1.102 . . . . 1.0 108.025 177.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.637 HD22 HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -71.49 152.8 42.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.6 -1.636 . . . . 0.34000000000000002 110.787 -175.513 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 m -86.18 168.53 13.9 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.806 -0.442 . . . . 0.64000000000000001 109.806 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.753 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.04 -45.03 97.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.604 -0.438 . . . . 0.19 111.372 -172.341 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' A' ' 45' ' ' MET . 40.1 mt-10 -48.62 -49.97 34.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.678 0.611 . . . . 0.81999999999999995 110.382 -179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.627 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 19.2 m-20 -54.28 -44.91 72.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.551 . . . . 0.66000000000000003 111.524 176.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.67 ' HD1' HD23 ' A' ' 44' ' ' LEU . 18.0 t80 -60.2 -52.96 63.08 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.318 0.58 . . . . 0.23000000000000001 109.665 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.72 HD22 ' HG ' ' A' ' 19' ' ' LEU . 2.6 mt -56.19 -33.76 65.59 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.517 -1.219 . . . . 0.17000000000000001 109.8 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 92.6 mtp -65.35 -57.57 8.05 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.389 0.431 . . . . 1.27 110.841 173.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 21.8 mt -47.1 -51.02 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 0.14000000000000001 111.473 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.883 ' NH2' ' HA ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -72.06 -40.19 68.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.997 -0.547 . . . . 2.0800000000000001 110.675 -179.175 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.879 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -46.77 -63.48 1.01 Allowed 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 123.288 0.635 . . . . 0.46999999999999997 110.774 173.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.537 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 7.0 mtt180 -55.38 -51.03 68.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.069 0.462 . . . . 0.68999999999999995 110.619 -173.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.45 -53.4 54.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.811 -1.086 . . . . 0.41999999999999998 111.2 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.559 ' HB1' ' ND2' ' A' ' 74' ' ' ASN . . . -63.22 -41.37 99.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.121 0.786 . . . . 0.52000000000000002 113.121 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.879 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -83.63 -70.65 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.996 -0.282 . . . . 0.46000000000000002 110.46 -172.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.85 33.73 0.02 OUTLIER Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.238 -0.982 . . . . 0.55000000000000004 113.24 174.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.537 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -114.16 139.76 49.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.478 -0.425 . . . . 0.29999999999999999 110.185 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -119.7 46.7 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.305 0.483 . . . . 1.9299999999999999 112.305 -171.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 60' ' ' VAL . 12.6 t70 -75.27 134.28 41.13 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.539 -0.541 . . . . 0.93000000000000005 109.539 171.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.493 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.4 p-10 -43.26 -42.94 4.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 115.819 1.785 . . . . 0.69999999999999996 115.819 -170.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' C ' HD22 ' A' ' 46' ' ' LEU . 9.4 p30 -63.15 -37.9 89.04 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.554 -0.858 . . . . 2.3100000000000001 109.57 -176.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -70.03 -35.33 74.24 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.067 -1.424 . . . . 0.13 111.981 175.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.2 m -76.96 -35.94 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 119.681 -0.808 . . . . 0.25 110.206 -176.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HA ' ' OG ' ' A' ' 64' ' ' SER . 32.9 mtpt -74.27 -20.08 60.27 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.252 0.548 . . . . 1.71 110.375 175.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 78.2 t80 -70.82 -52.87 17.72 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.691 -0.855 . . . . 0.17999999999999999 108.691 168.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -50.35 -60.79 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.273 -0.876 . . . . 1.4399999999999999 111.218 177.352 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' A' ' 61' ' ' LYS . 29.2 p -46.89 -44.67 19.85 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.679 0.622 . . . . 1.3 112.679 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.488 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 22.1 t90 -73.15 -54.92 7.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.602 0.239 . . . . 0.23000000000000001 111.434 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.598 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 10.8 t-105 -70.04 -25.64 63.65 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 122.897 0.479 . . . . 0.39000000000000001 111.471 -170.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.497 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 26.1 m-80 -94.53 0.3 55.16 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.061 0.458 . . . . 0.38 111.807 -174.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.3 m -92.44 -16.16 26.24 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.949 0.881 . . . . 0.84999999999999998 109.306 174.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -65.83 1.15 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.211 -1.359 . . . . 1.7 110.669 -175.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.9 m -94.94 -61.07 1.55 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.761 -1.109 . . . . 0.33000000000000002 112.214 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.525 ' C ' ' HG3' ' A' ' 72' ' ' MET . 34.6 mtpt 77.68 29.0 0.53 Allowed 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 114.265 -1.334 . . . . 1.2 109.787 -172.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.586 ' HB3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER 49.46 -167.17 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 113.626 -1.624 . . . . 1.2 115.117 173.482 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.22 53.81 0.56 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 111.578 -2.555 . . . . 0.93000000000000005 107.567 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.883 ' HA ' ' NH2' ' A' ' 47' ' ' ARG . 3.8 m-20 -4.96 -77.17 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 O-C-N 125.731 1.895 . . . . 2.3700000000000001 114.422 -172.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.02 32.32 3.2 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.896 -0.409 . . . . 2.3799999999999999 109.896 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.699 -0.667 . . . . 1.7 110.735 -178.73 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 111.696 -0.561 . . . . 1.46 111.696 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.645 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -136.36 -143.81 0.19 Allowed 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.262 -0.644 . . . . 1.21 109.262 -179.586 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.603 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.2 m-85 -138.41 -169.97 2.71 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.702 -0.481 . . . . 0.79000000000000004 109.702 -178.03 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' NE ' ' HB3' ' A' ' 41' ' ' GLU . 12.8 ttt180 -151.44 146.4 25.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 1.6699999999999999 109.722 164.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.433 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 80.28 -31.78 2.34 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.147 -0.549 . . . . 1.3899999999999999 114.254 173.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.603 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -79.23 47.24 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.31 0.485 . . . . 1.8500000000000001 112.31 -175.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.31 29.74 75.44 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.355 -0.926 . . . . 1.05 110.903 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -50.16 127.24 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 N-CA-C 113.633 0.975 . . . . 0.42999999999999999 113.633 -174.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.53 -14.59 15.24 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 113.643 -1.617 . . . . 0.34999999999999998 108.748 174.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.992 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.72 176.14 0.14 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.01 -0.996 . . . . 1.1399999999999999 108.923 175.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.873 ' N ' HD13 ' A' ' 19' ' ' LEU . 13.3 t -62.43 174.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 120.969 -1.082 . . . . 0.88 109.883 171.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.5 -57.16 7.91 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.527 0.566 . . . . 2.1499999999999999 112.527 -168.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.43 -63.42 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.881 0.326 . . . . 2.0499999999999998 111.881 -174.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.992 ' HB2' HD11 ' A' ' 19' ' ' LEU . 14.8 mm-40 -46.24 -36.63 6.31 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.325 1.231 . . . . 2.0099999999999998 114.325 -171.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.78 ' CE2' HG21 ' A' ' 40' ' ' VAL . 25.1 t80 -64.55 -53.56 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.795 0.807 . . . . 0.22 109.274 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -59.13 -39.09 81.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.845 -1.07 . . . . 1.8 110.559 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.543 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 12.1 mm-40 -71.17 -19.08 62.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.502 -0.772 . . . . 1.27 111.519 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.1 t90 -66.2 -36.62 83.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.741 -0.466 . . . . 0.16 109.741 172.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.76 -40.64 80.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.474 -0.785 . . . . 2.6299999999999999 109.423 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.24 -41.11 70.57 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.984 -0.553 . . . . 0.96999999999999997 110.767 174.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CD2' ' HD2' ' A' ' 43' ' ' PHE . 8.0 t60 -50.09 -42.02 49.38 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.483 -0.326 . . . . 0.14000000000000001 110.297 174.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.638 ' OD1' ' HA ' ' A' ' 37' ' ' ASP . 9.5 t30 -55.75 -47.83 76.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.557 -0.747 . . . . 1.78 110.547 176.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.49 -59.67 3.19 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.225 -0.898 . . . . 0.19 111.824 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.5 t -60.49 -35.41 75.84 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.243 0.831 . . . . 0.27000000000000002 113.243 -171.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.526 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 25.3 mmm180 -94.0 3.98 54.57 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.418 -0.513 . . . . 1.04 111.717 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 56.75 30.78 18.26 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.813 -0.63 . . . . 1.27 111.728 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.654 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -110.53 -168.48 1.32 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.644 -0.707 . . . . 0.35999999999999999 109.454 176.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.638 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 14.5 t70 -145.74 59.0 1.25 Allowed 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.868 -1.16 . . . . 1.0 107.868 177.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.654 HD22 HD13 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -87.96 150.39 23.48 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.297 -1.32 . . . . 0.34000000000000002 110.035 -173.514 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.9 m -86.34 168.66 13.65 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.863 -0.335 . . . . 0.64000000000000001 110.129 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.78 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.34 -44.45 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 C-N-CA 120.963 -0.295 . . . . 0.19 110.944 -173.308 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.495 ' HB3' ' NE ' ' A' ' 13' ' ' ARG . 48.1 mt-10 -46.93 -53.11 12.98 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 123.888 0.742 . . . . 0.81999999999999995 110.83 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.562 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 5.1 m-20 -52.75 -47.29 67.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.596 -0.729 . . . . 0.66000000000000003 111.379 176.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.721 ' HD1' HD23 ' A' ' 44' ' ' LEU . 13.0 t80 -58.25 -54.36 47.88 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.209 0.528 . . . . 0.23000000000000001 109.974 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.794 HD22 ' HG ' ' A' ' 19' ' ' LEU . 3.1 mt -53.16 -35.57 59.91 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 114.534 -1.212 . . . . 0.17000000000000001 109.96 -176.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.565 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 68.6 mtm -68.22 -52.89 29.09 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.422 0.451 . . . . 1.27 110.75 175.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 29.3 mt -48.41 -54.2 14.9 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.301 -0.409 . . . . 0.14000000000000001 111.503 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.605 HH11 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -66.01 -43.13 88.59 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 116.224 -0.444 . . . . 2.0800000000000001 110.462 -179.455 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.851 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.4 m170 -45.3 -62.7 1.16 Allowed 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.757 -0.656 . . . . 0.46999999999999997 111.191 173.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 45' ' ' MET . 2.3 mtt180 -58.86 -45.98 88.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.161 0.505 . . . . 0.68999999999999995 110.888 -174.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.28 -56.84 16.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.05 -0.977 . . . . 0.41999999999999998 111.044 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.452 ' HB1' ' ND2' ' A' ' 74' ' ' ASN . . . -59.29 -49.16 78.91 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.51 0.559 . . . . 0.52000000000000002 112.51 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.851 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.3 mt -77.83 -71.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.053 -0.259 . . . . 0.46000000000000002 110.508 -171.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.5 46.65 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.049 -1.072 . . . . 0.55000000000000004 113.283 174.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.516 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -124.14 141.17 52.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.733 -0.469 . . . . 0.29999999999999999 109.733 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -116.78 43.34 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.516 0.562 . . . . 1.9299999999999999 112.516 -171.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -66.58 127.46 32.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.976 -0.75 . . . . 0.93000000000000005 108.976 169.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.593 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.4 p-10 -47.62 -34.89 8.51 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 115.412 1.634 . . . . 0.69999999999999996 115.412 -170.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.69 -41.56 98.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 119.146 0.884 . . . . 2.3100000000000001 108.93 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.03 75.71 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.996 -1.456 . . . . 0.13 111.99 176.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.593 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.1 m -75.48 -36.46 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 119.642 -0.823 . . . . 0.25 110.14 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HA ' ' OG ' ' A' ' 64' ' ' SER . 17.0 mtpp -72.67 -23.46 60.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 116.08 -0.509 . . . . 1.71 110.608 175.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.442 ' HB2' HD13 ' A' ' 46' ' ' LEU . 84.6 t80 -67.6 -55.4 13.53 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.421 -0.955 . . . . 0.17999999999999999 108.421 169.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.65 -60.99 2.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.838 -1.074 . . . . 1.4399999999999999 111.851 177.871 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.42 ' OG ' ' HA ' ' A' ' 61' ' ' LYS . 15.6 p -45.92 -47.4 16.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.75 0.648 . . . . 1.3 112.75 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.601 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.6 t90 -73.19 -50.2 23.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.457 -0.338 . . . . 0.23000000000000001 111.556 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.543 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 11.3 t-105 -73.61 -25.82 60.5 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.589 0.356 . . . . 0.39000000000000001 111.588 -172.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 7.0 m120 -92.12 -1.79 56.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.921 0.391 . . . . 0.38 111.566 -176.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -94.54 -15.55 24.03 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 121.62 0.724 . . . . 0.84999999999999998 109.265 174.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.1 ptp180 -114.25 -59.93 1.95 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.081 -0.963 . . . . 1.7 111.158 -174.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.483 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 10.7 m -105.04 -59.26 1.77 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.557 -1.201 . . . . 0.33000000000000002 112.019 -172.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.533 ' C ' ' HG3' ' A' ' 72' ' ' MET . 49.2 mtpt 75.72 26.4 1.08 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 114.519 -1.219 . . . . 1.2 109.642 -173.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.533 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 49.07 -167.7 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 113.418 -1.719 . . . . 1.2 115.057 172.823 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.02 46.19 1.25 Allowed 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 111.189 -2.732 . . . . 0.93000000000000005 106.997 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.452 ' ND2' ' HB1' ' A' ' 51' ' ' ALA . 2.6 m-20 6.73 -85.34 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 126.163 2.164 . . . . 2.3700000000000001 113.267 -171.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -136.97 34.94 2.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.312 -0.625 . . . . 2.3799999999999999 109.312 173.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.507 -0.758 . . . . 1.7 110.963 -176.596 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.461 -0.656 . . . . 1.46 111.461 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.591 HG21 ' HA ' ' A' ' 19' ' ' LEU . 3.7 m -80.24 58.01 2.92 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.883 0.697 . . . . 1.21 112.883 -175.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.591 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 0.9 OUTLIER 51.32 -170.95 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.504 1.298 . . . . 0.79000000000000004 114.504 165.624 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HG2' ' N ' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -167.76 141.89 3.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.088 -1.414 . . . . 1.6699999999999999 109.329 163.507 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.506 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 79.81 -28.7 2.45 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 120.973 -0.632 . . . . 1.3899999999999999 114.055 173.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.565 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -77.89 47.14 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.143 0.497 . . . . 1.8500000000000001 111.944 -177.368 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.44 31.63 77.25 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.694 -0.963 . . . . 1.05 110.694 -175.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.591 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -53.1 128.91 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 CA-C-O 122.176 0.988 . . . . 0.42999999999999999 113.104 -176.806 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.89 -11.27 14.69 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 113.342 -1.753 . . . . 0.34999999999999998 108.672 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.866 HD13 ' N ' ' A' ' 20' ' ' THR . 3.5 tm? 61.29 171.34 0.11 Allowed 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.736 -1.12 . . . . 1.1399999999999999 109.143 175.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.866 ' N ' HD13 ' A' ' 19' ' ' LEU . 9.0 t -64.05 178.29 0.68 Allowed 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.762 -1.211 . . . . 0.88 110.386 172.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.51 -57.3 7.61 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.95 0.722 . . . . 2.1499999999999999 112.95 -168.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.58 -60.18 2.41 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 111.81 0.3 . . . . 2.0499999999999998 111.81 -171.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.797 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -45.61 -39.58 7.87 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.208 1.188 . . . . 2.0099999999999998 114.208 -175.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.754 ' CE2' HG21 ' A' ' 40' ' ' VAL . 35.7 t80 -66.89 -56.06 11.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.356 0.526 . . . . 0.22 110.203 -177.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -52.74 -38.92 61.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.603 0.716 . . . . 1.8 110.888 171.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.646 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 10.1 mm-40 -74.97 -20.82 59.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.838 -0.619 . . . . 1.27 111.938 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.645 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.72 -35.68 81.84 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.488 -0.56 . . . . 0.16 109.488 173.437 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 17.6 mtm180 -60.84 -40.41 92.76 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.328 -0.851 . . . . 2.6299999999999999 108.73 176.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.37 -37.29 74.55 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.185 -0.461 . . . . 0.96999999999999997 110.906 174.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 4.5 t60 -51.24 -41.15 60.14 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.286 -0.265 . . . . 0.14000000000000001 110.286 174.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.532 ' HA ' HD12 ' A' ' 36' ' ' LEU . 30.8 m-80 -55.5 -50.17 70.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.164 0.507 . . . . 1.78 110.299 175.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.88 -60.57 2.91 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.394 -0.821 . . . . 0.19 111.903 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -61.22 -37.86 84.56 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.88 0.696 . . . . 0.27000000000000002 112.88 -171.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -93.26 0.5 57.05 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.39 -0.524 . . . . 1.04 111.614 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 59.79 27.96 17.35 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.373 0.606 . . . . 1.27 111.926 171.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.71 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -108.09 -170.45 1.69 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.455 -0.793 . . . . 0.35999999999999999 109.649 176.184 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -141.64 49.15 1.61 Allowed 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 107.919 -1.141 . . . . 1.0 107.919 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.71 HD22 HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -80.17 149.62 30.45 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 113.976 -1.465 . . . . 0.34000000000000002 110.513 -173.023 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 m -84.89 168.57 14.92 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.333 -0.618 . . . . 0.64000000000000001 109.333 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.754 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.48 -44.33 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 C-N-CA 120.589 -0.444 . . . . 0.19 110.515 -175.154 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 44.9 mt-10 -49.06 -49.71 40.1 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 123.644 0.59 . . . . 0.81999999999999995 110.8 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.557 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 39.2 m-20 -54.55 -44.83 73.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.49 . . . . 0.66000000000000003 110.982 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.587 ' HD1' HD23 ' A' ' 44' ' ' LEU . 4.3 t80 -60.12 -54.25 48.11 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.192 0.52 . . . . 0.23000000000000001 109.699 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.683 HD21 HG22 ' A' ' 40' ' ' VAL . 3.1 mt -55.1 -30.8 60.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.618 -1.174 . . . . 0.17000000000000001 110.214 -175.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.552 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 73.3 mtm -71.4 -56.64 5.57 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.643 0.589 . . . . 1.27 111.713 173.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 22.8 mt -48.56 -52.5 22.44 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.438 0.637 . . . . 0.14000000000000001 110.398 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.504 HH22 ' HA ' ' A' ' 75' ' ' ASP . 9.3 ttt180 -56.34 -56.84 16.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.709 -1.132 . . . . 2.0800000000000001 110.594 175.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.866 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.06 -62.34 0.65 Allowed 'General case' 0 C--O 1.212 -0.876 0 O-C-N 124.349 1.031 . . . . 0.46999999999999997 111.954 175.684 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 45' ' ' MET . 24.4 mtt-85 -59.83 -39.86 86.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.971 0.415 . . . . 0.68999999999999995 110.973 -172.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.45 -53.76 50.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.525 -0.761 . . . . 0.41999999999999998 110.866 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.74 -49.31 77.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.044 0.757 . . . . 0.52000000000000002 113.044 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.866 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 11.6 mt -80.23 -70.23 0.54 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.493 -0.321 . . . . 0.46000000000000002 110.741 -170.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.7 35.87 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 119.817 -1.182 . . . . 0.55000000000000004 113.755 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -115.66 144.67 43.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.293 0.547 . . . . 0.29999999999999999 110.247 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -118.91 47.9 1.57 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.245 -0.434 . . . . 1.9299999999999999 112.162 -173.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.49 126.46 29.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.813 -0.81 . . . . 0.93000000000000005 108.813 167.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.614 ' O ' HG22 ' A' ' 60' ' ' VAL . 4.5 p-10 -41.03 -45.03 2.55 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 115.264 1.579 . . . . 0.69999999999999996 115.264 -172.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' C ' HD22 ' A' ' 46' ' ' LEU . 17.0 m-20 -64.24 -34.84 79.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 119.267 0.94 . . . . 2.3100000000000001 109.869 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -69.11 -35.81 76.84 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.483 -1.235 . . . . 0.13 111.324 174.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.7 m -74.38 -36.45 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 119.947 -0.701 . . . . 0.25 109.997 -177.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -67.27 -36.15 80.98 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.997 -0.547 . . . . 1.71 110.17 175.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.523 ' HB2' HD13 ' A' ' 46' ' ' LEU . 74.7 t80 -60.78 -54.75 41.37 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.958 -0.756 . . . . 0.17999999999999999 108.958 173.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.6 OUTLIER -51.01 -60.29 3.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.25 -0.886 . . . . 1.4399999999999999 111.145 176.54 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.8 m -43.21 -43.89 4.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.875 0.695 . . . . 1.3 112.875 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.552 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.6 t90 -81.33 -48.52 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.029 0.442 . . . . 0.23000000000000001 111.704 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.646 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 40.3 t-105 -77.53 -23.34 50.18 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.149 -0.478 . . . . 0.39000000000000001 111.925 -171.015 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 7.4 m120 -95.22 -0.32 53.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.119 0.485 . . . . 0.38 111.29 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.0 m -93.32 -14.99 26.25 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.646 0.736 . . . . 0.84999999999999998 109.147 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.7 ptp180 -114.08 -61.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.015 -0.993 . . . . 1.7 110.864 -175.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.534 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 24.2 m -100.75 -59.69 1.66 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.756 -1.111 . . . . 0.33000000000000002 111.925 -174.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.604 ' C ' ' HG3' ' A' ' 72' ' ' MET . 40.8 mtpt 76.73 17.86 1.73 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 114.302 -1.317 . . . . 1.2 110.191 -172.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.604 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 44.82 -164.5 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 113.813 -1.539 . . . . 1.2 114.979 171.144 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 76' ' ' TYR . . . -145.52 78.58 1.55 Allowed 'General case' 0 N--CA 1.431 -1.403 0 CA-C-N 114.12 -1.4 . . . . 0.93000000000000005 107.553 -176.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -18.85 -52.11 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 O-C-N 125.862 1.977 . . . . 2.3700000000000001 114.21 -173.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.504 ' HA ' HH22 ' A' ' 47' ' ' ARG . 4.8 p-10 -165.16 43.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.685 0.755 . . . . 2.3799999999999999 109.612 167.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.435 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 76.5 m-85 . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.077 -0.965 . . . . 1.7 109.985 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.833 0 N-CA-C 111.805 -0.518 . . . . 1.46 111.805 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.708 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -125.96 -149.88 0.43 Allowed 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 110.006 -0.368 . . . . 1.21 110.006 -178.887 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.55 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-85 -142.06 -168.26 2.66 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.921 -0.582 . . . . 0.79000000000000004 110.154 -172.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 26.2 ttp85 -160.12 146.27 15.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.623 -0.717 . . . . 1.6699999999999999 109.798 170.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.27 45.68 93.86 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.002 -0.618 . . . . 1.3899999999999999 112.907 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.55 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -153.92 40.29 0.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.572 0.701 . . . . 1.8500000000000001 110.489 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.75 27.47 70.79 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.419 -0.896 . . . . 1.05 110.927 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.452 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -56.79 128.54 17.35 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.837 0 CA-C-O 122.146 0.974 . . . . 0.42999999999999999 112.865 -177.113 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.81 -8.24 14.93 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 113.343 -1.753 . . . . 0.34999999999999998 108.424 173.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.864 HD13 ' N ' ' A' ' 20' ' ' THR . 3.4 tm? 59.95 173.46 0.09 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 114.64 -1.163 . . . . 1.1399999999999999 109.215 175.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.864 ' N ' HD13 ' A' ' 19' ' ' LEU . 15.3 t -61.33 172.95 0.98 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.78 -1.2 . . . . 0.88 109.941 172.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.71 -57.19 7.63 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.237 0.828 . . . . 2.1499999999999999 113.237 -168.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.39 -62.79 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.093 0.473 . . . . 2.0499999999999998 111.697 -174.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.709 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -45.49 -40.93 9.03 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.768 1.396 . . . . 2.0099999999999998 114.768 -175.349 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.812 ' CE2' HG21 ' A' ' 40' ' ' VAL . 36.5 t80 -65.29 -58.14 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.663 0.665 . . . . 0.22 110.507 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.05 -49.01 52.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.429 0.633 . . . . 1.8 111.232 172.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.56 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 42.3 mt-10 -71.15 -15.99 62.52 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.62 -0.718 . . . . 1.27 112.202 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.641 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -62.87 -38.03 89.26 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.575 -0.528 . . . . 0.16 109.575 168.686 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 68.6 mtm180 -60.98 -35.11 75.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.769 -0.65 . . . . 2.6299999999999999 109.427 177.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -74.62 -36.64 62.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.763 -0.653 . . . . 0.96999999999999997 110.508 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 13.5 t60 -53.54 -40.3 65.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.14000000000000001 110.196 173.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.602 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 23.9 m-80 -53.26 -52.68 58.23 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.071 0.463 . . . . 1.78 110.444 173.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.2 -60.56 3.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.2 -0.909 . . . . 0.19 112.087 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.414 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 23.8 t -64.96 -26.89 68.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.306 0.854 . . . . 0.27000000000000002 113.306 -169.143 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -99.99 1.64 42.74 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.268 -0.573 . . . . 1.04 112.245 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.563 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 54.47 58.4 4.95 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.444 -0.798 . . . . 1.27 110.759 177.172 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.656 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -145.26 -179.33 6.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.153 -0.931 . . . . 0.35999999999999999 108.524 -177.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -137.51 46.1 2.15 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.841 -1.17 . . . . 1.0 107.841 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.656 HD22 HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -75.54 148.32 39.0 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 113.778 -1.555 . . . . 0.34000000000000002 110.129 -176.161 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -87.98 170.84 10.78 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.473 -0.566 . . . . 0.64000000000000001 109.473 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.812 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.03 -42.78 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 120.634 -0.426 . . . . 0.19 110.824 -172.817 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 45' ' ' MET . 32.1 mt-10 -48.46 -50.54 30.97 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.765 0.666 . . . . 0.81999999999999995 110.776 -178.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.503 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.9 m-20 -55.07 -46.65 75.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.66000000000000003 111.953 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.647 ' HD1' HD23 ' A' ' 44' ' ' LEU . 4.9 t80 -57.58 -53.39 58.72 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.42 0.629 . . . . 0.23000000000000001 109.917 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.792 HD21 HG22 ' A' ' 40' ' ' VAL . 3.3 mt -52.03 -35.18 46.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.157 -1.383 . . . . 0.17000000000000001 109.961 -176.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.535 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 53.1 mtm -65.85 -57.27 8.3 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.827 0.705 . . . . 1.27 110.819 175.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 20.2 mt -48.0 -56.02 8.67 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.724 -0.671 . . . . 0.14000000000000001 111.113 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.619 ' NE ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -61.74 -50.14 73.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.158 -0.928 . . . . 2.0800000000000001 110.94 -179.86 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.865 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 7.0 m170 -40.08 -61.0 0.94 Allowed 'General case' 0 C--O 1.216 -0.666 0 O-C-N 123.759 0.662 . . . . 0.46999999999999997 111.134 173.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 45' ' ' MET . 17.3 mtt180 -58.63 -43.25 89.65 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.911 0.386 . . . . 0.68999999999999995 110.888 -172.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.23 -55.85 28.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.658 -0.701 . . . . 0.41999999999999998 111.121 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.91 71.48 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.085 0.554 . . . . 0.52000000000000002 112.279 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.865 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.6 mt -80.0 -71.15 0.47 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.209 -0.45 . . . . 0.46000000000000002 110.894 -171.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.27 47.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.632 -0.794 . . . . 0.55000000000000004 112.388 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.514 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -129.11 146.44 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.667 -0.314 . . . . 0.29999999999999999 110.2 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -123.77 48.29 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.795 0.665 . . . . 1.9299999999999999 112.795 -171.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.16 130.43 43.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.318 -0.623 . . . . 0.93000000000000005 109.318 167.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.668 ' O ' HG22 ' A' ' 60' ' ' VAL . 4.1 p-10 -44.26 -43.51 7.35 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 115.227 1.566 . . . . 0.69999999999999996 115.227 -171.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 46' ' ' LEU . 34.9 m-20 -65.85 -35.32 80.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 119.343 0.974 . . . . 2.3100000000000001 109.318 -177.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.0 -34.84 78.64 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.316 -1.311 . . . . 0.13 111.327 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.9 m -75.23 -39.04 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 C-N-CA 120.068 -0.653 . . . . 0.25 110.2 -177.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -64.2 -36.99 85.86 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.995 -0.548 . . . . 1.71 109.832 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.458 ' HB2' HD13 ' A' ' 46' ' ' LEU . 73.5 t80 -61.0 -56.45 20.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.162 -0.926 . . . . 0.17999999999999999 109.177 174.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -49.44 -61.5 2.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.132 -0.94 . . . . 1.4399999999999999 111.428 177.387 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.457 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 62.9 m -49.84 -47.86 51.37 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.841 0.682 . . . . 1.3 112.841 -177.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.499 ' CE3' ' HB2' ' A' ' 66' ' ' TRP . 7.5 t90 -68.84 -50.92 45.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.968 0.413 . . . . 0.23000000000000001 111.414 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.56 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 20.6 t-105 -73.59 -24.46 60.07 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.117 -0.492 . . . . 0.39000000000000001 112.07 -172.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 5.8 m120 -92.26 -0.94 57.38 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 120.99 0.424 . . . . 0.38 111.611 -175.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.6 m -94.63 -16.11 23.45 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.635 0.731 . . . . 0.84999999999999998 109.162 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 8.0 ptp180 -113.91 -63.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.953 -1.022 . . . . 1.7 111.322 -173.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.449 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 44.6 m -100.95 -56.59 2.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.164 -0.926 . . . . 0.33000000000000002 111.596 -175.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.597 ' C ' ' HG3' ' A' ' 72' ' ' MET . 47.4 mtpt 74.41 22.61 2.12 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.226 -1.352 . . . . 1.2 110.239 -172.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.597 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 44.07 -164.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.014 -1.448 . . . . 1.2 114.824 172.568 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.432 ' H ' ' HB2' ' A' ' 72' ' ' MET . . . -147.39 54.05 1.07 Allowed 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 114.676 -1.147 . . . . 0.93000000000000005 109.419 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 14.55 -80.9 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 O-C-N 125.96 2.037 . . . . 2.3700000000000001 113.501 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -147.25 39.27 0.99 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.568 0.699 . . . . 2.3799999999999999 109.768 170.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 . . . . . 0 C--O 1.248 0.985 0 CA-C-N 115.241 -0.89 . . . . 1.7 110.564 179.787 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 111.838 -0.505 . . . . 1.46 111.838 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.678 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -121.32 -156.44 0.68 Allowed 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.117 0.484 . . . . 1.21 110.484 -178.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.611 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.7 m-85 -142.17 -164.68 1.85 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.501 -0.772 . . . . 0.79000000000000004 110.103 -170.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 25.4 ttp180 -161.06 146.62 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.46 -0.791 . . . . 1.6699999999999999 109.569 168.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 67.18 34.82 87.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.482 -0.866 . . . . 1.3899999999999999 112.695 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.611 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -145.19 37.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.189 0.518 . . . . 1.8500000000000001 110.98 179.462 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.32 28.16 71.74 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.394 -0.907 . . . . 1.05 110.87 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.464 HG21 HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -52.39 132.6 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 CA-C-O 121.922 0.868 . . . . 0.42999999999999999 112.713 -178.462 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.97 -7.06 14.57 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 113.905 -1.498 . . . . 0.34999999999999998 108.963 175.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.869 HD22 HD22 ' A' ' 44' ' ' LEU . 64.0 tp 57.49 -172.95 0.08 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 114.76 -1.109 . . . . 1.1399999999999999 109.988 177.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.586 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -78.21 161.13 27.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.66 -0.867 . . . . 0.88 108.66 170.697 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -58.52 -57.06 14.6 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.897 0.703 . . . . 2.1499999999999999 112.897 -166.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -64.99 -57.79 7.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.613 -0.267 . . . . 2.0499999999999998 111.232 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.61 ' HB3' HD21 ' A' ' 19' ' ' LEU . 5.2 mp0 -46.87 -42.9 18.2 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.925 0.713 . . . . 2.0099999999999998 112.925 -177.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.931 ' CE2' HG21 ' A' ' 40' ' ' VAL . 25.9 t80 -65.68 -53.44 41.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.311 0.577 . . . . 0.22 110.082 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -52.08 -44.99 64.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.788 -0.642 . . . . 1.8 110.859 171.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.484 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 10.4 mm-40 -68.65 -19.83 64.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.865 -0.607 . . . . 1.27 111.836 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -63.73 -38.15 90.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.751 -0.463 . . . . 0.16 109.751 172.676 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -63.38 -33.54 75.77 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.434 -0.803 . . . . 2.6299999999999999 109.614 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.8 -40.57 63.29 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.265 -0.425 . . . . 0.96999999999999997 110.465 173.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.429 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 9.9 t-160 -50.44 -43.69 55.19 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.254 -0.43 . . . . 0.14000000000000001 111.114 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.495 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 7.0 t30 -58.5 -45.48 88.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.17 0.509 . . . . 1.78 109.901 177.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.26 -61.04 2.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.297 -0.865 . . . . 0.19 112.181 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -57.93 -45.47 86.52 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.644 0.609 . . . . 0.27000000000000002 112.644 -172.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.535 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 22.5 mmm180 -84.1 -3.38 58.04 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.698 -0.401 . . . . 1.04 111.523 -176.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 58.59 32.72 22.46 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.684 -0.689 . . . . 1.27 111.504 173.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.634 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.99 -167.15 1.16 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.88 -0.6 . . . . 0.35999999999999999 109.86 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -141.21 107.34 5.21 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.69 -0.855 . . . . 1.0 108.69 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.634 HD22 HD13 ' A' ' 36' ' ' LEU . 1.8 pt? -141.79 159.1 42.91 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.537 0.684 . . . . 0.34000000000000002 111.204 -178.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -93.95 178.05 5.78 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.605 -1.179 . . . . 0.64000000000000001 108.53 172.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.931 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -69.12 -41.12 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 C-N-CA 119.825 -0.75 . . . . 0.19 110.412 -173.583 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.507 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 25.0 mt-10 -49.28 -48.11 46.27 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.68 0.612 . . . . 0.81999999999999995 110.35 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 5.4 m-20 -56.4 -43.59 79.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.463 -0.789 . . . . 0.66000000000000003 111.59 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.541 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 27.3 t80 -60.67 -51.63 68.58 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.451 0.643 . . . . 0.23000000000000001 109.78 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.869 HD22 HD22 ' A' ' 19' ' ' LEU . 2.0 mt -56.57 -32.31 65.06 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 114.191 -1.368 . . . . 0.17000000000000001 109.931 -173.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.628 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 69.3 mtm -65.21 -58.58 5.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.842 0.714 . . . . 1.27 111.016 175.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 62' ' ' PHE . 16.1 mt -50.52 -54.0 25.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.982 -0.554 . . . . 0.14000000000000001 111.084 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 47' ' ' ARG . 6.1 ttt180 -58.08 -54.39 47.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.284 -0.871 . . . . 2.0800000000000001 110.823 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.895 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -41.92 -63.07 0.79 Allowed 'General case' 0 C--O 1.216 -0.699 0 O-C-N 123.828 0.705 . . . . 0.46999999999999997 111.474 175.497 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' A' ' 45' ' ' MET . 21.1 mtt-85 -57.0 -46.48 82.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.763 0.316 . . . . 0.68999999999999995 110.712 -171.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.36 -54.23 49.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.504 -0.771 . . . . 0.41999999999999998 111.066 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.08 78.81 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.679 0.622 . . . . 0.52000000000000002 112.679 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.895 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 17.8 mt -82.69 -72.62 0.44 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.363 -0.381 . . . . 0.46000000000000002 110.244 -175.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.08 13.47 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.491 -0.862 . . . . 0.55000000000000004 113.013 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -90.39 135.78 33.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.928 0.394 . . . . 0.29999999999999999 111.275 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -112.07 45.62 1.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.492 0.553 . . . . 1.9299999999999999 112.492 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.69 ' O ' HG13 ' A' ' 60' ' ' VAL . 9.5 t70 -61.0 158.29 13.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.104 -1.073 . . . . 0.93000000000000005 108.104 166.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.498 ' HA ' HG22 ' A' ' 60' ' ' VAL . 13.1 p-10 -79.4 -39.46 32.44 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 117.56 -1.656 . . . . 0.69999999999999996 111.199 -164.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.446 ' C ' HD22 ' A' ' 46' ' ' LEU . 9.4 m-20 -62.86 -30.27 71.38 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.826 -0.805 . . . . 2.3100000000000001 108.826 -178.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.2 -40.31 62.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.498 -1.228 . . . . 0.13 111.626 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 56' ' ' ASP . 7.7 m -73.59 -33.91 40.38 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.204 0 C-N-CA 119.992 -0.683 . . . . 0.25 110.195 -178.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -71.58 -33.82 69.39 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.137 -0.483 . . . . 1.71 110.121 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.477 ' HB2' HD13 ' A' ' 46' ' ' LEU . 76.1 t80 -60.06 -54.9 40.47 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.06 -0.719 . . . . 0.17999999999999999 109.06 171.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.65 -59.1 4.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.748 -1.115 . . . . 1.4399999999999999 110.778 175.922 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 t -40.87 -51.26 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.008 0.817 . . . . 1.3 112.156 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.535 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 7.7 t90 -76.67 -51.1 12.14 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.831 0.308 . . . . 0.23000000000000001 111.831 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.621 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 32.4 t-105 -73.8 -23.02 59.63 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.374 0.27 . . . . 0.39000000000000001 111.72 -169.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.542 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 4.5 m120 -92.03 -3.31 55.96 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.272 0.558 . . . . 0.38 110.685 -174.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 m -92.49 -17.09 24.98 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 121.483 0.659 . . . . 0.84999999999999998 109.846 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.48 -64.04 1.36 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.84 -1.073 . . . . 1.7 111.212 -175.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.8 m -103.58 -57.66 2.0 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.897 -1.047 . . . . 0.33000000000000002 112.644 -172.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.553 ' C ' ' HG3' ' A' ' 72' ' ' MET . 49.1 mtpt 75.94 21.98 1.51 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 114.756 -1.111 . . . . 1.2 110.588 -176.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.621 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 40.55 -122.88 0.45 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.629 -1.169 . . . . 1.2 113.452 176.149 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASP . . . 165.61 96.37 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 105.817 -1.919 . . . . 0.93000000000000005 105.817 -163.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -62.5 76.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.924 0.765 . . . . 2.3700000000000001 111.148 -173.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER 69.16 20.88 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.717 0.807 . . . . 2.3799999999999999 110.795 177.608 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.402 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 70.5 m-85 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.65 -0.691 . . . . 1.7 109.763 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.866 -0.494 . . . . 1.46 111.866 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.7 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -110.21 -151.97 0.49 Allowed 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 110.057 -0.349 . . . . 1.21 110.057 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.586 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.3 m-85 -140.81 -165.3 1.91 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.002 -0.545 . . . . 0.79000000000000004 110.79 -174.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 14' ' ' GLY . 32.3 ttp180 -168.13 158.53 10.31 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.819 -1.082 . . . . 1.6699999999999999 108.816 171.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 67.8 21.07 72.9 Favored Glycine 0 N--CA 1.454 -0.112 0 C-N-CA 120.514 -0.85 . . . . 1.3899999999999999 112.142 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.586 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -139.99 -166.57 2.12 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.921 -0.77 . . . . 1.8500000000000001 108.921 178.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.35 57.29 1.57 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.455 -0.879 . . . . 1.05 111.168 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.418 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -72.08 125.36 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-O 122.211 1.005 . . . . 0.42999999999999999 112.706 -178.531 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.01 -3.41 20.1 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 113.264 -1.789 . . . . 0.34999999999999998 108.145 172.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.767 HD22 HD22 ' A' ' 44' ' ' LEU . 52.4 tp 55.28 -99.86 0.1 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 113.912 -1.494 . . . . 1.1399999999999999 110.987 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.593 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 41.4 p -128.44 -176.04 3.7 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.459 -0.791 . . . . 0.88 109.531 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -79.56 -39.23 32.32 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 119.678 -0.809 . . . . 2.1499999999999999 109.185 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -86.97 -62.95 1.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.594 -0.73 . . . . 2.0499999999999998 112.414 -171.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HG2' ' NH1' ' A' ' 47' ' ' ARG . 30.1 mp0 -58.9 -37.47 76.68 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 112.89 0.7 . . . . 2.0099999999999998 112.89 -173.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.783 ' CE2' HG21 ' A' ' 40' ' ' VAL . 40.2 t80 -60.18 -57.35 13.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.59 -0.522 . . . . 0.22 109.59 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -45.47 -46.24 13.54 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.301 0.572 . . . . 1.8 111.695 167.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.549 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.8 mm-40 -73.19 -18.72 61.23 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.296 0.48 . . . . 1.27 112.296 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.592 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.9 t90 -62.34 -39.19 92.29 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 109.231 -0.655 . . . . 0.16 109.231 171.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 44.4 mtm180 -61.41 -37.16 82.48 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.008 -0.996 . . . . 2.6299999999999999 109.835 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.06 -33.16 63.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.318 -0.401 . . . . 0.96999999999999997 110.341 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.474 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 6.0 t60 -56.66 -36.18 69.25 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.788 -0.449 . . . . 0.14000000000000001 109.788 173.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.557 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 14.4 m120 -56.99 -50.6 72.18 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.601 0.563 . . . . 1.78 110.031 175.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.12 -60.52 2.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.218 -0.901 . . . . 0.19 112.214 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 t -62.6 -42.32 99.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.47 0.545 . . . . 0.27000000000000002 112.47 -169.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -87.15 4.14 43.53 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.575 -0.45 . . . . 1.04 112.102 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 54.14 55.79 7.81 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 114.975 -1.011 . . . . 1.27 111.605 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.673 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -143.14 -178.33 5.79 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.647 -0.872 . . . . 0.35999999999999999 108.647 -177.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' HA ' HD22 ' A' ' 31' ' ' ASN . 26.8 t0 -136.58 36.54 2.68 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.781 -1.192 . . . . 1.0 107.781 -176.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.673 HD22 HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -62.52 145.63 53.77 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 113.745 -1.57 . . . . 0.34000000000000002 110.518 -176.812 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.8 m -81.83 177.45 8.87 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.007 -0.542 . . . . 0.64000000000000001 109.949 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.783 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -71.25 -44.77 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 C-N-CA 120.106 -0.637 . . . . 0.19 110.836 -172.613 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' A' ' 45' ' ' MET . 46.3 mt-10 -49.21 -46.93 46.46 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 123.404 0.44 . . . . 0.81999999999999995 110.381 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.5 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.3 m-20 -55.17 -45.2 75.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.958 -0.564 . . . . 0.66000000000000003 111.889 176.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.516 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 13.5 t80 -58.12 -50.6 72.94 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.558 0.694 . . . . 0.23000000000000001 109.412 176.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.767 HD22 HD22 ' A' ' 19' ' ' LEU . 2.5 mt -60.4 -27.25 67.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.308 -1.315 . . . . 0.17000000000000001 109.842 -174.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 30.0 mtm -66.81 -59.46 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 1.27 110.112 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 62' ' ' PHE . 13.8 mt -52.04 -49.57 63.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.011 -0.995 . . . . 0.14000000000000001 111.216 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.553 ' CD ' HD11 ' A' ' 19' ' ' LEU . 7.1 ttt85 -60.94 -60.33 3.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.056 -0.974 . . . . 2.0800000000000001 110.933 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.911 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 9.8 m170 -42.71 -57.51 2.71 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 123.953 0.783 . . . . 0.46999999999999997 111.315 177.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.537 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 21.9 mtt-85 -56.89 -50.4 72.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.603 -0.439 . . . . 0.68999999999999995 110.735 -171.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.34 -53.08 62.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.53 -0.759 . . . . 0.41999999999999998 111.262 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.701 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . . . -58.27 -36.02 72.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 112.773 0.657 . . . . 0.52000000000000002 112.773 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.911 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 16.4 mt -88.0 -74.45 0.45 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 121.079 -0.248 . . . . 0.46000000000000002 110.671 -174.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.87 35.9 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.867 -0.682 . . . . 0.55000000000000004 112.427 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.537 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -117.11 133.44 56.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 0.29999999999999999 110.324 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -114.24 47.71 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.239 0.542 . . . . 1.9299999999999999 111.378 -173.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 12.0 t70 -66.71 123.16 19.34 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.193 -1.04 . . . . 0.93000000000000005 108.193 168.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -45.54 -36.74 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.922 1.453 . . . . 0.69999999999999996 114.922 -169.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.427 ' C ' HD22 ' A' ' 46' ' ' LEU . 10.5 m-20 -64.2 -40.54 96.29 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.625 -0.88 . . . . 2.3100000000000001 108.625 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.98 81.15 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.134 -1.394 . . . . 0.13 111.634 176.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 m -76.3 -35.66 27.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.291 0 C-N-CA 119.745 -0.782 . . . . 0.25 110.118 -176.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -72.84 -30.34 63.94 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 110.149 -0.315 . . . . 1.71 110.149 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' HB2' HD13 ' A' ' 46' ' ' LEU . 82.5 t80 -59.03 -55.81 30.37 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.562 -0.903 . . . . 0.17999999999999999 108.562 168.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.579 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.1 tmt_? -49.13 -59.74 3.39 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.314 -0.857 . . . . 1.4399999999999999 111.753 174.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.579 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 13.8 t -45.44 -50.55 12.45 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 123.555 0.534 . . . . 1.3 111.994 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.471 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 9.6 t90 -72.74 -51.98 16.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.53 -0.305 . . . . 0.23000000000000001 111.506 -178.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.631 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 33.8 t-105 -71.6 -29.27 64.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.361 -0.381 . . . . 0.39000000000000001 111.655 -171.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.574 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 5.2 m120 -85.27 -0.06 53.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.218 0.532 . . . . 0.38 111.292 -176.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.4 m -93.04 -15.73 25.81 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.691 0.758 . . . . 0.84999999999999998 109.142 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -115.34 -66.18 1.11 Allowed 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.624 -1.171 . . . . 1.7 110.797 -173.082 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 24.0 m -105.82 -55.99 2.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.638 -1.164 . . . . 0.33000000000000002 112.377 -172.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.622 ' C ' ' HG3' ' A' ' 72' ' ' MET . 57.1 mtpt 77.67 11.14 2.14 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 114.747 -1.115 . . . . 1.2 111.468 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.631 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 43.53 -156.62 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 O-C-N 124.45 1.094 . . . . 1.2 113.124 176.412 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.465 ' H ' ' HB2' ' A' ' 72' ' ' MET . . . -143.23 77.6 1.57 Allowed 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 107.509 -1.293 . . . . 0.93000000000000005 107.509 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.701 ' ND2' ' HA ' ' A' ' 51' ' ' ALA . 2.5 m120 -23.75 -51.33 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 O-C-N 125.451 1.72 . . . . 2.3700000000000001 114.68 -170.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -153.09 26.63 0.53 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.519 0.676 . . . . 2.3799999999999999 109.478 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.24 -0.886 . . . . 1.7 110.474 -175.344 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.626 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 15.2 m-85 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 108.063 -1.088 . . . . 0.79 108.063 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.554 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 13.7 ttp180 -163.34 144.2 9.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.499 0.499 . . . . 1.67 110.329 165.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.4 -32.39 2.58 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.087 -0.578 . . . . 1.39 113.627 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.626 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -80.21 44.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.483 0.549 . . . . 1.85 112.483 -175.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.05 28.1 73.49 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.245 -0.979 . . . . 1.05 111.058 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.608 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -46.79 130.47 3.3 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.688 0 N-CA-C 113.674 0.99 . . . . 0.43 113.674 -175.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.54 -19.03 13.8 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 113.702 -1.59 . . . . 0.35 109.409 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.992 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 63.33 171.02 0.16 Allowed 'General case' 0 CA--C 1.545 0.766 0 O-C-N 123.964 0.79 . . . . 1.14 109.492 173.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.853 ' N ' HD13 ' A' ' 19' ' ' LEU . 5.1 t -60.22 162.84 5.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.094 -1.004 . . . . 0.88 110.398 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.28 -50.6 72.99 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.282 0.475 . . . . 2.15 112.282 -167.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.78 -64.55 0.86 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.413 -0.358 . . . . 2.05 111.766 -174.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.992 ' HB2' HD11 ' A' ' 19' ' ' LEU . 26.2 mm-40 -46.95 -36.58 7.83 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.475 1.287 . . . . 2.01 114.475 -173.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.701 ' CE2' HG21 ' A' ' 40' ' ' VAL . 39.1 t80 -65.16 -54.11 34.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.323 -0.621 . . . . 0.22 109.323 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -42.78 70.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.563 -0.744 . . . . 1.8 111.111 170.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.55 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 17.7 mm-40 -70.52 -18.79 62.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.998 -0.547 . . . . 1.27 111.374 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -67.03 -36.85 83.02 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.054 0.454 . . . . 0.16 109.83 174.195 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -62.47 -31.23 71.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.456 -0.793 . . . . 2.63 109.225 175.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.06 -41.64 58.56 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.643 -0.708 . . . . 0.97 110.541 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.421 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 10.7 t-160 -51.54 -43.26 62.28 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.344 -0.389 . . . . 0.14 110.263 173.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.608 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 5.2 t30 -55.51 -48.03 75.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.698 -0.683 . . . . 1.78 110.152 177.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.31 -59.63 3.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.002 -0.999 . . . . 0.19 112.004 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.406 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 37.2 t -61.0 -43.91 98.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.679 0.622 . . . . 0.27 112.679 -172.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -84.75 3.9 35.31 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.667 -0.413 . . . . 1.04 111.686 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp 60.24 26.62 16.09 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.784 -0.643 . . . . 1.27 111.487 170.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.734 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.54 -170.82 1.72 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.562 -0.744 . . . . 0.36 109.95 178.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.469 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 27.2 t70 -143.15 66.26 1.32 Allowed 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.298 -1.371 . . . . 1.0 107.298 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.734 HD22 HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -98.55 151.21 20.89 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.414 -1.266 . . . . 0.34 110.425 -169.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -85.24 166.84 16.19 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.097 -0.501 . . . . 0.64 109.771 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.77 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -64.26 -42.86 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 120.796 -0.362 . . . . 0.19 110.627 -173.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.638 ' O ' ' HG3' ' A' ' 45' ' ' MET . 37.4 mt-10 -45.89 -53.72 9.37 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 123.951 0.782 . . . . 0.82 110.696 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 10.5 m-20 -54.04 -45.64 71.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.808 -0.633 . . . . 0.66 111.562 177.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.727 ' HD1' HD23 ' A' ' 44' ' ' LEU . 17.3 t80 -58.92 -53.68 55.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.216 0.531 . . . . 0.23 109.882 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.77 HD21 HG22 ' A' ' 40' ' ' VAL . 2.6 mt -53.9 -35.24 61.4 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 114.605 -1.18 . . . . 0.17 109.947 -177.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 83.3 mtp -64.6 -57.8 8.09 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.592 0.557 . . . . 1.27 110.607 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 29.5 mt -47.0 -51.49 17.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.421 -0.808 . . . . 0.14 111.435 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -71.49 -44.22 65.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.318 -0.401 . . . . 2.08 111.365 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.856 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -44.24 -60.05 2.08 Favored 'General case' 0 C--O 1.215 -0.761 0 O-C-N 123.489 0.493 . . . . 0.47 110.596 173.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 45' ' ' MET . 11.6 mtt180 -59.62 -48.36 81.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.935 0.398 . . . . 0.69 111.037 -175.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.63 -56.76 17.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 0.42 111.148 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.59 -49.26 78.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.768 -0.651 . . . . 0.52 112.724 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.856 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 16.4 mt -77.9 -72.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.638 -0.425 . . . . 0.46 110.499 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.44 43.38 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.051 -1.071 . . . . 0.55 113.279 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -122.61 140.76 52.46 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.364 -0.606 . . . . 0.3 109.364 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.54 45.18 2.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.64 0.607 . . . . 1.93 112.64 -170.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -67.9 128.12 35.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.758 -0.46 . . . . 0.93 109.758 170.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.538 ' O ' HG22 ' A' ' 60' ' ' VAL . 5.4 p-10 -44.61 -40.11 5.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 115.19 1.552 . . . . 0.7 115.19 -170.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -61.45 -42.46 98.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.929 0.871 . . . . 2.31 108.759 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -66.02 -35.34 80.31 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.841 -1.527 . . . . 0.13 111.779 177.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.8 m -76.24 -38.81 34.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 119.945 -0.702 . . . . 0.25 110.249 -176.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -69.01 -30.26 68.61 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.226 -0.443 . . . . 1.71 110.251 176.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.502 ' HB2' HD13 ' A' ' 46' ' ' LEU . 73.0 t80 -63.03 -53.94 46.0 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.803 -0.814 . . . . 0.18 108.803 171.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.532 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.3 tmt_? -47.54 -61.07 2.1 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.905 -1.043 . . . . 1.44 111.096 176.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.532 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 55.7 m -47.8 -52.27 19.45 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.675 0.62 . . . . 1.3 112.675 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.553 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 10.8 t90 -65.13 -51.91 58.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.753 0.311 . . . . 0.23 111.362 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 7.4 t-105 -72.23 -23.51 61.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.39 111.566 -172.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 19.5 m-80 -94.15 -1.28 54.47 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 112.14 0.422 . . . . 0.38 112.14 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.4 m -93.92 -17.11 23.34 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.971 0.891 . . . . 0.85 108.725 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 9.4 ptm180 -114.09 -58.14 2.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.4 -1.273 . . . . 1.7 111.528 -172.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 m -106.07 -60.73 1.6 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.808 -1.087 . . . . 0.33 111.844 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.475 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.1 mtpt 76.25 24.67 1.09 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 114.426 -1.261 . . . . 1.2 109.453 -173.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.699 ' HB3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.424 0 CA-C-O 123.935 1.826 . . . . 1.2 115.465 170.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.597 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.779 -0.452 . . . . 0.79 109.779 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -159.46 140.8 12.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.926 -0.579 . . . . 1.67 109.693 167.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.87 -34.01 2.81 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.943 -0.646 . . . . 1.39 113.797 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.597 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -78.33 47.68 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.772 0.656 . . . . 1.85 112.772 -175.403 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.89 26.66 73.84 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.217 -0.992 . . . . 1.05 111.248 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.582 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -49.3 131.5 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.65 0 N-CA-C 113.66 0.985 . . . . 0.43 113.66 -176.85 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.13 -8.67 14.4 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 113.506 -1.679 . . . . 0.35 108.79 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.788 HD22 HD22 ' A' ' 44' ' ' LEU . 49.0 tp 58.74 -179.44 0.07 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.701 -1.136 . . . . 1.14 111.016 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.608 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 1.1 t -65.64 167.6 8.83 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.327 -0.62 . . . . 0.88 109.327 172.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.79 -58.92 5.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.099 0.778 . . . . 2.15 113.099 -164.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.86 -48.85 19.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.776 0.322 . . . . 2.05 111.208 -171.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.499 ' HB3' HD21 ' A' ' 19' ' ' LEU . 7.3 mp0 -46.73 -42.36 16.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.094 -0.957 . . . . 2.01 112.826 -177.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.741 ' CE2' HG21 ' A' ' 40' ' ' VAL . 36.1 t80 -66.32 -57.93 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.22 110.36 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -52.51 -40.04 61.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.575 0.702 . . . . 1.8 111.082 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -77.6 -17.01 58.23 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 122.059 -0.4 . . . . 1.27 110.97 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.596 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -62.4 -33.58 75.05 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.297 -0.631 . . . . 0.16 109.297 168.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 56.7 mtm180 -63.08 -30.83 71.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.498 -0.773 . . . . 2.63 109.027 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -76.67 -35.21 58.1 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.97 111.552 169.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.467 ' O ' HD11 ' A' ' 36' ' ' LEU . 16.1 t-160 -54.28 -40.93 68.3 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.888 -0.782 . . . . 0.14 108.888 173.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.585 ' ND2' ' HA ' ' A' ' 37' ' ' ASP . 25.0 t-20 -53.22 -49.51 66.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.304 -0.862 . . . . 1.78 110.236 172.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.23 -60.1 2.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.92 -1.036 . . . . 0.19 112.36 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.1 t -59.89 -36.68 77.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.653 -0.703 . . . . 0.27 112.816 -172.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.467 ' HD3' ' CD2' ' A' ' 65' ' ' TRP . 21.7 mmm180 -97.94 4.65 49.46 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.263 -0.575 . . . . 1.04 111.991 -175.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 59.82 24.16 13.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.148 0.499 . . . . 1.27 111.873 173.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.641 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -104.7 -173.4 2.3 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.754 -0.657 . . . . 0.36 109.235 176.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.585 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 31.4 t70 -139.18 32.29 2.14 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 122.248 1.023 . . . . 1.0 108.389 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.641 HD22 HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -59.45 148.38 33.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.723 -1.58 . . . . 0.34 111.432 -175.164 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -86.79 172.31 10.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.873 -0.603 . . . . 0.64 109.528 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.781 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -67.36 -42.55 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 120.311 -0.556 . . . . 0.19 111.473 -171.479 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.604 ' O ' ' HG3' ' A' ' 45' ' ' MET . 31.4 mt-10 -48.94 -51.57 29.49 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.448 0.468 . . . . 0.82 110.171 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.7 m-20 -53.89 -42.66 68.91 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.787 -0.642 . . . . 0.66 112.065 176.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.635 ' HD1' HD23 ' A' ' 44' ' ' LEU . 46.8 t80 -61.31 -52.14 65.94 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.304 0.573 . . . . 0.23 109.584 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.788 HD22 HD22 ' A' ' 19' ' ' LEU . 2.2 mt -55.75 -34.36 65.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.239 -1.346 . . . . 0.17 109.491 -175.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.604 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 79.1 mtp -62.93 -60.13 3.88 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.374 0.421 . . . . 1.27 111.284 173.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 20.5 mt -49.38 -52.03 31.04 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.644 -0.707 . . . . 0.14 111.77 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.468 HH21 ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -66.93 -41.57 86.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.068 -0.515 . . . . 2.08 109.828 -178.588 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.902 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -48.76 -65.16 0.61 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.83 -0.623 . . . . 0.47 110.591 173.357 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.633 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 6.4 mtt180 -57.4 -52.35 65.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.349 0.595 . . . . 0.69 109.977 -172.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.58 18.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.473 -1.239 . . . . 0.42 111.46 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.468 ' HB3' HH21 ' A' ' 47' ' ' ARG . . . -65.94 -36.75 84.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.021 0.748 . . . . 0.52 113.021 -178.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.902 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 19.7 mt -80.59 -71.79 0.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.554 -0.458 . . . . 0.46 110.904 -174.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.06 43.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.612 -0.804 . . . . 0.55 112.509 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.633 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -128.89 140.65 51.59 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.471 -0.566 . . . . 0.3 109.471 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -121.85 44.23 2.63 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.085 0.402 . . . . 1.93 112.085 -171.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.79 134.89 49.05 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.154 -0.684 . . . . 0.93 109.154 171.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.537 ' O ' HG22 ' A' ' 60' ' ' VAL . 2.9 p-10 -44.9 -43.95 9.29 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 115.709 1.744 . . . . 0.7 115.709 -169.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 p30 -62.07 -39.27 91.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.93 0.871 . . . . 2.31 109.321 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -69.23 -30.47 68.63 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 113.83 -1.532 . . . . 0.13 112.357 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.6 m -79.46 -35.79 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 119.574 -0.851 . . . . 0.25 109.987 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -70.51 -24.46 62.83 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 121.445 0.64 . . . . 1.71 109.778 174.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 83.8 t80 -67.99 -59.2 3.45 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.424 -0.954 . . . . 0.18 108.424 169.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -60.75 2.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.022 -0.99 . . . . 1.44 112.394 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.6 p -44.32 -54.75 5.5 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.47 0.915 . . . . 1.3 113.47 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.599 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 2.7 t90 -74.17 -48.08 31.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.765 0.316 . . . . 0.23 111.642 -178.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.711 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 69.1 t-105 -65.86 -36.19 82.75 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 122.899 0.48 . . . . 0.39 111.463 -171.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -84.48 1.24 46.5 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.424 0.631 . . . . 0.38 110.888 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.1 t -95.23 -20.34 19.29 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.909 0.861 . . . . 0.85 108.885 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 2.0 ptm180 -116.46 -62.41 1.59 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.247 -1.342 . . . . 1.7 111.402 -172.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.527 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 6.2 m -96.61 -64.8 1.01 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.061 -0.972 . . . . 0.33 111.654 -172.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.573 ' C ' ' HG3' ' A' ' 72' ' ' MET . 48.5 mtpt 77.63 1.89 2.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 114.637 -1.165 . . . . 1.2 111.963 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.711 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 115.14 1.533 . . . . 1.2 115.14 166.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.517 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 1.5 m-85 . . . . . 0 CA--C 1.518 -0.279 0 N-CA-C 110.07 -0.344 . . . . 0.79 110.07 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -161.97 146.6 12.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 1.67 109.089 167.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.62 52.02 53.71 Favored Glycine 0 CA--C 1.517 0.202 0 C-N-CA 120.822 -0.704 . . . . 1.39 113.028 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.517 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -162.44 37.91 0.11 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.209 0.528 . . . . 1.85 111.127 179.458 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.06 28.8 67.78 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.656 -0.978 . . . . 1.05 110.656 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.481 HG21 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -53.68 128.76 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 N-CA-C 113.536 0.939 . . . . 0.43 113.536 -176.265 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.04 -8.78 15.77 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 113.762 -1.563 . . . . 0.35 108.821 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.965 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.2 tm? 59.47 177.24 0.08 Allowed 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.946 -1.025 . . . . 1.14 109.073 176.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.853 ' N ' HD13 ' A' ' 19' ' ' LEU . 14.0 t -66.1 172.37 3.84 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.61 -1.306 . . . . 0.88 110.198 172.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -59.9 -58.17 9.69 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 112.788 0.662 . . . . 2.15 112.788 -170.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.92 -62.71 1.35 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.972 0.36 . . . . 2.05 111.972 -172.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.965 ' HB2' HD11 ' A' ' 19' ' ' LEU . 58.7 mt-10 -56.58 -29.6 62.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.697 1.369 . . . . 2.01 114.697 -167.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.845 ' CE2' HG21 ' A' ' 40' ' ' VAL . 35.9 t80 -65.79 -58.13 6.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 118.664 0.665 . . . . 0.22 109.781 177.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -52.76 -43.49 65.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.635 0.731 . . . . 1.8 111.024 171.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.622 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 32.7 mm-40 -69.07 -22.06 64.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.5 -0.773 . . . . 1.27 111.931 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.18 -36.49 84.23 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.233 0.54 . . . . 0.16 109.561 174.585 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 54.1 mtm180 -63.32 -31.23 72.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.131 -0.94 . . . . 2.63 109.456 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -75.76 -39.91 56.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.177 -0.465 . . . . 0.97 110.75 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.431 ' CE1' HD13 ' A' ' 38' ' ' LEU . 15.7 t-160 -50.49 -37.95 41.45 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 110.193 -0.299 . . . . 0.14 110.193 172.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.563 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 26.1 t-20 -56.4 -51.79 67.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.017 -0.538 . . . . 1.78 109.974 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.73 -61.4 2.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.281 -0.872 . . . . 0.19 112.246 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.1 t -58.91 -40.93 85.97 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.99 0.737 . . . . 0.27 112.99 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -91.28 -0.65 57.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.576 0.584 . . . . 1.04 112.576 -175.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.05 56.99 4.87 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.141 -0.936 . . . . 1.27 110.883 174.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.682 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -139.25 -174.24 3.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.523 -0.917 . . . . 0.36 108.523 -176.435 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -137.1 37.82 2.55 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.064 -1.087 . . . . 1.0 108.064 -176.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.682 HD22 HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -69.26 149.25 48.73 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.158 -1.383 . . . . 0.34 110.963 -175.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m -86.97 175.42 8.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.066 -0.516 . . . . 0.64 109.693 175.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.845 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -67.5 -46.47 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 120.219 -0.592 . . . . 0.19 110.148 -176.177 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.626 ' O ' ' HG3' ' A' ' 45' ' ' MET . 30.2 mt-10 -50.46 -43.81 55.44 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 123.615 0.572 . . . . 0.82 110.061 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 20.9 m-20 -59.17 -42.41 90.71 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.356 -0.384 . . . . 0.66 111.598 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.564 ' HD1' HD23 ' A' ' 44' ' ' LEU . 9.0 t80 -60.12 -51.89 67.7 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.597 0.713 . . . . 0.23 109.079 175.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.602 ' N ' HD23 ' A' ' 44' ' ' LEU . 2.6 mt -59.53 -25.82 64.83 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.152 -1.385 . . . . 0.17 110.085 -174.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 25.5 mtm -66.45 -60.02 3.13 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.306 0.575 . . . . 1.27 110.602 172.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 62' ' ' PHE . 19.5 mt -52.64 -52.94 53.31 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 114.84 -1.073 . . . . 0.14 110.705 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.488 ' HG3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -61.24 -50.69 72.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.097 -0.956 . . . . 2.08 111.047 178.439 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.882 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.32 -61.12 0.82 Allowed 'General case' 0 C--O 1.217 -0.658 0 O-C-N 123.526 0.516 . . . . 0.47 110.939 172.612 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.591 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 32.4 mtt-85 -63.37 -32.14 73.49 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.872 0.368 . . . . 0.69 110.598 -170.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.62 -58.49 4.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.154 -0.475 . . . . 0.42 110.91 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.94 -47.43 74.47 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.403 0.52 . . . . 0.52 112.403 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.882 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 12.4 mt -75.56 -69.25 0.5 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 0.46 110.371 -174.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.23 42.08 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.119 -1.038 . . . . 0.55 113.63 172.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -113.07 140.97 47.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.219 0.509 . . . . 0.3 110.563 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.48 43.84 1.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 1.93 111.676 -174.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.515 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 2.8 t70 -67.11 120.03 13.02 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.723 -0.843 . . . . 0.93 108.723 169.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.569 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.4 p-10 -39.99 -42.13 1.32 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 115.323 1.601 . . . . 0.7 115.323 -172.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.42 ' C ' HD22 ' A' ' 46' ' ' LEU . 28.4 m-20 -60.09 -41.34 92.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.948 0.88 . . . . 2.31 109.112 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -70.73 -34.01 71.44 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.017 -1.447 . . . . 0.13 111.832 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.1 m -74.93 -37.81 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 119.92 -0.712 . . . . 0.25 110.136 -175.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -68.5 -35.23 77.22 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.291 -0.413 . . . . 1.71 110.064 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.541 ' HB2' HD13 ' A' ' 46' ' ' LEU . 73.3 t80 -58.86 -57.37 13.34 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 109.088 -0.708 . . . . 0.18 109.088 172.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -46.1 -59.63 2.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.428 -0.805 . . . . 1.44 110.77 174.358 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.6 t -41.5 -57.98 2.05 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.994 0.809 . . . . 1.3 112.114 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.496 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 11.6 t90 -68.81 -49.72 56.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.899 0.381 . . . . 0.23 111.921 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 21.9 t-105 -72.9 -24.92 60.9 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.256 -0.429 . . . . 0.39 111.649 -169.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 23.2 m-80 -94.6 4.25 54.07 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.366 0.603 . . . . 0.38 110.862 -177.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -92.39 -21.27 20.31 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.507 0.67 . . . . 0.85 109.277 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -114.05 -65.09 1.22 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.901 -1.045 . . . . 1.7 110.766 -173.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.9 m -92.03 -58.74 2.3 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.562 -1.199 . . . . 0.33 111.808 -175.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.572 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.0 mtpt 73.16 22.8 2.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 124.609 1.193 . . . . 1.2 109.984 -172.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.572 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.682 0 CA-C-N 113.629 -1.623 . . . . 1.2 115.155 170.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.575 ' CB ' ' HD3' ' A' ' 15' ' ' ARG . 1.0 OUTLIER . . . . . 0 CA--C 1.514 -0.439 0 CA-C-O 121.591 0.71 . . . . 0.79 111.06 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.492 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 9.5 ttp180 -165.23 145.91 7.22 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 113.883 -1.508 . . . . 1.67 108.05 172.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.42 58.25 2.95 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 119.62 -1.276 . . . . 1.39 113.821 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.575 ' HD3' ' CB ' ' A' ' 12' ' ' TYR . 11.7 ptm180 -179.31 33.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.957 0.378 . . . . 1.85 111.133 -177.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.03 31.07 71.55 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.062 -1.215 . . . . 1.05 110.062 -172.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.474 HG11 ' C ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -41.4 128.18 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.762 0 CA-C-N 114.399 -0.901 . . . . 0.43 112.964 -176.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.96 -14.37 29.61 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.338 -1.301 . . . . 0.35 109.509 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' A' ' 23' ' ' GLU . 2.5 tm? 60.86 -172.35 0.14 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 107.824 -1.176 . . . . 1.14 107.824 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.799 ' N ' HD13 ' A' ' 19' ' ' LEU . 2.5 t -70.71 162.81 28.37 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 120.833 -1.167 . . . . 0.88 108.925 166.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -58.08 -57.9 10.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.161 0.801 . . . . 2.15 113.161 -168.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.92 -58.05 4.31 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.851 0.315 . . . . 2.05 111.851 -170.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.884 ' HB2' HD11 ' A' ' 19' ' ' LEU . 11.3 mm-40 -46.6 -38.4 9.52 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.017 1.117 . . . . 2.01 114.017 -175.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.641 ' CE2' HG21 ' A' ' 40' ' ' VAL . 39.1 t80 -61.04 -59.34 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.18 0.514 . . . . 0.22 110.477 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -51.62 -40.72 60.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 1.8 110.599 171.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.615 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 13.0 mm-40 -67.89 -21.63 65.14 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.504 -0.771 . . . . 1.27 112.078 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.594 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -64.4 -37.65 88.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.653 -0.499 . . . . 0.16 109.653 174.052 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 45.0 mtm180 -60.76 -35.22 75.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.467 -0.788 . . . . 2.63 109.441 176.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.33 -36.92 63.69 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.068 -0.515 . . . . 0.97 110.683 173.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.446 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.0 t-160 -52.68 -40.24 62.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.475 -0.33 . . . . 0.14 110.473 173.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.47 ' HA ' HD12 ' A' ' 36' ' ' LEU . 8.4 m120 -53.5 -50.84 64.53 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.573 0.546 . . . . 1.78 109.844 173.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.04 -60.65 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.137 -0.938 . . . . 0.19 112.392 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 65' ' ' TRP . 30.4 t -59.94 -38.82 83.52 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.794 0.664 . . . . 0.27 112.794 -170.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.488 HH11 ' HB2' ' A' ' 65' ' ' TRP . 8.1 mmm180 -91.64 4.14 53.39 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.324 -0.55 . . . . 1.04 111.539 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 54.69 42.11 31.45 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.169 -0.923 . . . . 1.27 111.769 174.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.664 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -129.62 -175.78 3.7 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.168 -0.679 . . . . 0.36 109.168 -177.049 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -141.45 105.47 4.77 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.664 HD22 HD13 ' A' ' 36' ' ' LEU . 2.3 pt? -136.21 155.67 49.79 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.815 -0.629 . . . . 0.34 109.98 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.8 m -89.75 167.51 12.82 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.003 -0.999 . . . . 0.64 109.302 175.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.736 HG22 HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -61.03 -44.07 97.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.705 -0.398 . . . . 0.19 110.852 -169.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' ' 45' ' ' MET . 35.0 mt-10 -44.49 -53.6 6.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.838 0.711 . . . . 0.82 111.015 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.3 m-20 -58.42 -42.15 86.58 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.412 -0.358 . . . . 0.66 111.889 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.682 ' HD1' HD23 ' A' ' 44' ' ' LEU . 18.6 t80 -59.02 -53.87 53.52 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.19 -0.67 . . . . 0.23 109.19 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.848 HD22 ' HG ' ' A' ' 19' ' ' LEU . 1.9 mt -53.9 -33.56 56.94 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 114.175 -1.375 . . . . 0.17 110.004 -178.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.581 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 91.8 mtp -66.3 -56.26 12.03 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.336 0.397 . . . . 1.27 110.775 174.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 31.5 mt -46.78 -51.12 17.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.754 -0.657 . . . . 0.14 111.633 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.59 ' NH2' ' HG3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -69.29 -46.3 67.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.23 -0.441 . . . . 2.08 110.666 178.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.902 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -45.09 -62.84 1.09 Allowed 'General case' 0 C--O 1.214 -0.794 0 O-C-N 123.963 0.79 . . . . 0.47 111.07 177.031 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.581 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 13.3 mtt180 -53.03 -52.71 57.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.86 0.362 . . . . 0.69 110.716 -174.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.07 -55.95 17.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.232 -0.895 . . . . 0.42 111.61 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.96 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.592 0.757 . . . . 0.52 112.577 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.902 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -89.22 -73.16 0.52 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.389 -0.369 . . . . 0.46 110.762 -171.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.07 36.88 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.992 -1.099 . . . . 0.55 113.416 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -121.42 138.1 54.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.28 0.54 . . . . 0.3 110.333 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.4 49.12 1.31 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.274 -0.421 . . . . 1.93 111.498 -173.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.99 130.33 41.87 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.193 -0.669 . . . . 0.93 109.193 171.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.597 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.5 p-10 -46.06 -37.8 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 115.255 1.576 . . . . 0.7 115.255 -169.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -43.1 99.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 119.011 0.823 . . . . 2.31 109.223 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.93 -35.83 81.7 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 113.954 -1.475 . . . . 0.13 111.556 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.8 m -75.9 -38.2 35.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.951 -0.699 . . . . 0.25 110.537 -176.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -70.37 -24.02 62.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.225 0.536 . . . . 1.71 110.25 176.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.467 ' HB2' HD13 ' A' ' 46' ' ' LEU . 82.5 t80 -67.75 -54.19 21.26 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.888 -0.782 . . . . 0.18 108.888 169.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -51.85 -60.79 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.216 -0.902 . . . . 1.44 111.307 177.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.448 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 49.8 m -48.17 -37.31 15.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.221 0.823 . . . . 1.3 113.221 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.488 ' HB2' HH11 ' A' ' 34' ' ' ARG . 8.9 t90 -82.19 -53.16 6.29 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.137 -0.352 . . . . 0.23 111.109 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.672 ' CD1' ' HB3' ' A' ' 72' ' ' MET . 11.7 t-105 -68.06 -25.98 65.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.02 -0.536 . . . . 0.39 111.378 -170.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.568 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 25.5 m-80 -94.42 1.43 55.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.38 111.747 -176.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 66.0 m -93.82 -18.12 22.36 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.696 0.76 . . . . 0.85 109.379 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -114.02 -69.77 0.84 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.672 -1.149 . . . . 1.7 110.377 -174.546 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.2 m -85.2 -56.96 3.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.3 -1.318 . . . . 0.33 111.844 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.588 ' C ' ' HG3' ' A' ' 72' ' ' MET . 31.3 mtpt 74.7 21.49 2.16 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 114.53 -1.214 . . . . 1.2 109.454 -171.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.672 ' HB3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.292 0 CA-C-N 113.01 -1.905 . . . . 1.2 115.478 168.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.671 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 4.5 m-85 . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 108.958 -0.756 . . . . 0.79 108.958 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -169.48 115.84 0.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.412 0.445 . . . . 1.67 109.981 172.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.46 ' HA2' ' OE1' ' A' ' 41' ' ' GLU . . . 112.01 -45.14 1.36 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.383 -0.913 . . . . 1.39 113.009 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.671 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -78.64 54.55 1.51 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.807 0.669 . . . . 1.85 112.807 -172.416 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.28 30.52 76.87 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.009 -1.091 . . . . 1.05 111.375 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -54.72 132.11 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.655 0 CA-C-O 122.253 1.025 . . . . 0.43 113.587 -176.197 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.47 -13.92 15.88 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 113.452 -1.704 . . . . 0.35 109.253 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.002 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.3 tm? 62.77 178.27 0.14 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.109 0.881 . . . . 1.14 108.913 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.876 ' N ' HD13 ' A' ' 19' ' ' LEU . 4.3 t -68.67 177.65 2.41 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.821 -1.175 . . . . 0.88 109.351 170.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.96 -53.56 30.54 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 121.852 -0.53 . . . . 2.15 112.214 -172.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.74 -62.83 1.24 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.46 0.541 . . . . 2.05 112.46 -171.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 1.002 ' HB2' HD11 ' A' ' 19' ' ' LEU . 22.0 mm-40 -48.21 -32.93 7.78 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.754 1.02 . . . . 2.01 113.754 -173.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.664 ' CD2' HG21 ' A' ' 40' ' ' VAL . 30.7 t80 -67.1 -56.01 11.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.01 0.433 . . . . 0.22 109.854 -179.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -52.06 -44.57 64.34 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.69 0.757 . . . . 1.8 110.766 170.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.651 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.6 mm-40 -70.67 -18.95 62.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.588 -0.733 . . . . 1.27 111.786 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.665 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -65.87 -38.26 88.34 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 120.998 0.427 . . . . 0.16 110.012 173.52 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -60.72 -32.81 72.05 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.312 -0.858 . . . . 2.63 109.107 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -77.87 -39.24 43.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.764 -0.653 . . . . 0.97 111.082 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 10.1 t-160 -50.39 -41.43 52.02 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.631 0.253 . . . . 0.14 110.438 172.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.509 ' HA ' HD12 ' A' ' 36' ' ' LEU . 9.7 t30 -57.27 -48.08 79.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.776 -0.647 . . . . 1.78 110.11 176.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.48 -61.22 1.92 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.894 -1.048 . . . . 0.19 112.368 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.407 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 34.2 t -56.57 -44.98 81.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.621 0.6 . . . . 0.27 112.621 -173.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -84.53 -2.07 56.78 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.845 -0.342 . . . . 1.04 111.3 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 58.92 31.44 21.32 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.634 -0.712 . . . . 1.27 111.63 173.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.573 HD13 HD22 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -109.32 -169.22 1.44 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.833 -0.621 . . . . 0.36 110.342 -179.136 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -141.26 103.17 4.38 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.821 -0.807 . . . . 1.0 108.821 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.573 HD22 HD13 ' A' ' 36' ' ' LEU . 1.5 pt? -137.22 161.5 36.02 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.584 0.707 . . . . 0.34 110.895 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -102.47 154.12 19.4 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.769 -1.197 . . . . 0.64 107.769 171.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.726 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -45.28 -39.62 2.37 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 113.051 0.76 . . . . 0.19 113.051 -171.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.664 ' O ' ' HG3' ' A' ' 45' ' ' MET . 22.2 mt-10 -48.92 -55.28 12.26 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.342 0.401 . . . . 0.82 111.102 -179.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.587 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 9.9 m-20 -57.98 -34.3 69.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.617 -0.265 . . . . 0.66 111.38 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.582 ' HD1' HD23 ' A' ' 44' ' ' LEU . 6.7 t80 -63.5 -53.26 54.72 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.157 -0.683 . . . . 0.23 109.157 173.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.726 HD21 HG22 ' A' ' 40' ' ' VAL . 3.5 mt -57.01 -30.12 63.92 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 114.454 -1.248 . . . . 0.17 110.024 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.664 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 72.4 mtp -65.74 -58.23 6.16 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.973 0.795 . . . . 1.27 110.509 174.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 24.2 mt -50.56 -54.5 22.04 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.82 -0.627 . . . . 0.14 111.056 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -58.83 -51.34 70.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.485 -0.78 . . . . 2.08 110.801 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.873 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -41.36 -62.72 0.81 Allowed 'General case' 0 C--O 1.213 -0.82 0 O-C-N 123.783 0.677 . . . . 0.47 111.324 174.142 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 16.8 mtt180 -57.26 -42.32 81.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.723 0.297 . . . . 0.69 110.954 -170.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.55 -55.67 28.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.861 -0.609 . . . . 0.42 110.868 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.43 -40.9 79.39 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.612 0.597 . . . . 0.52 112.612 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.873 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.0 mt -82.99 -77.04 0.25 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.431 -0.35 . . . . 0.46 110.603 -174.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.06 16.23 0.02 OUTLIER Glycine 0 CA--C 1.522 0.503 0 C-N-CA 119.838 -1.172 . . . . 0.55 114.023 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.575 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -95.27 134.48 37.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.678 0.739 . . . . 0.3 111.123 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -109.41 47.83 0.91 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.682 -0.69 . . . . 1.93 111.36 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 14.4 t70 -69.88 122.38 19.15 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.005 -0.739 . . . . 0.93 109.005 169.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.515 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.4 p-10 -38.55 -42.48 0.77 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 115.752 1.76 . . . . 0.7 115.752 -173.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.402 ' C ' HD22 ' A' ' 46' ' ' LEU . 26.9 m-20 -61.94 -38.54 88.87 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.38 0.991 . . . . 2.31 109.196 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.3 -33.49 67.43 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.506 -1.225 . . . . 0.13 111.425 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.515 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.2 m -76.84 -36.68 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 119.922 -0.711 . . . . 0.25 110.093 -176.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -71.43 -30.54 66.18 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.245 -0.434 . . . . 1.71 109.846 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.489 ' HB2' HD13 ' A' ' 46' ' ' LEU . 60.9 t80 -60.41 -57.61 12.05 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.781 -0.822 . . . . 0.18 108.781 170.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.6 tmt_? -48.22 -60.76 2.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.383 -0.826 . . . . 1.44 110.948 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.436 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 49.9 m -42.49 -56.59 2.99 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.844 0.715 . . . . 1.3 112.555 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.477 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 7.7 t90 -66.88 -49.46 65.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.699 0.285 . . . . 0.23 111.513 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.651 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 8.5 t-105 -70.98 -24.28 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.356 -0.384 . . . . 0.39 111.511 -170.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 18.7 m-80 -95.27 2.66 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.369 0.604 . . . . 0.38 110.768 -175.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.0 m -92.24 -21.33 20.39 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 121.737 0.779 . . . . 0.85 109.39 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.24 -68.45 0.93 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.663 -1.153 . . . . 1.7 110.82 -174.35 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 26.2 m -91.6 -58.21 2.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.547 -1.206 . . . . 0.33 111.944 -174.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.621 ' C ' ' HG3' ' A' ' 72' ' ' MET . 51.2 mtpt 75.25 22.53 1.7 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.652 -1.158 . . . . 1.2 110.002 -173.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.621 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 1.2 ppp? . . . . . 0 N--CA 1.469 0.475 0 CA-C-N 113.662 -1.608 . . . . 1.2 114.79 171.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.572 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 . . . . . 0 CA--C 1.512 -0.519 0 N-CA-C 109.207 -0.664 . . . . 0.79 109.207 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -176.51 141.55 0.4 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.241 -1.022 . . . . 1.67 108.241 169.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.43 41.42 4.82 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 119.774 -1.203 . . . . 1.39 110.891 -172.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.572 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 6.2 ptp180 -173.34 -166.83 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.162 -0.519 . . . . 1.85 109.916 -172.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.64 49.29 2.37 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.756 -0.657 . . . . 1.05 112.141 173.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.508 HG13 ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -61.88 133.02 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-O 121.772 0.796 . . . . 0.43 112.058 -179.375 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.26 -9.39 14.3 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.158 -1.383 . . . . 0.35 108.947 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 20' ' ' THR . 3.1 tm? 59.51 179.8 0.08 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.092 -0.958 . . . . 1.14 108.743 176.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.865 ' N ' HD13 ' A' ' 19' ' ' LEU . 12.2 t -67.67 -177.16 0.72 Allowed 'General case' 0 C--N 1.321 -0.667 0 O-C-N 120.604 -1.31 . . . . 0.88 109.627 170.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -72.1 -57.31 4.37 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 112.762 0.652 . . . . 2.15 112.762 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.16 -61.19 2.05 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.08 0.4 . . . . 2.05 112.08 -173.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.773 ' CB ' HD11 ' A' ' 19' ' ' LEU . 5.8 mt-10 -46.91 -35.95 7.04 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.19 1.181 . . . . 2.01 114.19 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.739 ' CD2' HG21 ' A' ' 40' ' ' VAL . 34.4 t80 -68.64 -54.88 13.69 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.255 0.48 . . . . 0.22 110.076 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.24 -43.97 61.6 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.554 0.692 . . . . 1.8 110.893 171.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.572 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 39.0 mt-10 -77.01 -16.54 59.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.889 -0.596 . . . . 1.27 112.318 -177.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.674 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -62.44 -36.11 81.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.375 -0.602 . . . . 0.16 109.375 168.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -62.73 -34.63 77.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.191 -0.913 . . . . 2.63 109.116 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.41 -43.42 70.04 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.953 -0.567 . . . . 0.97 110.719 171.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.454 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 12.6 t-160 -49.07 -43.8 41.36 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.308 -0.405 . . . . 0.14 111.205 175.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.503 ' HA ' HD12 ' A' ' 36' ' ' LEU . 11.2 t30 -60.22 -43.73 95.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.22 0.533 . . . . 1.78 110.269 178.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.24 -60.97 2.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.123 -0.944 . . . . 0.19 111.713 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -57.14 -48.68 78.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.711 -0.677 . . . . 0.27 112.795 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.447 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 10.5 mmm180 -82.7 -4.67 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.641 0.258 . . . . 1.04 111.514 -175.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt 60.67 27.42 17.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.647 -0.706 . . . . 1.27 111.552 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.559 HD13 HD22 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -101.9 -168.29 1.52 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.752 -0.658 . . . . 0.36 110.252 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -145.93 95.08 2.58 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD22 HD13 ' A' ' 36' ' ' LEU . 1.5 pt? -128.44 163.14 25.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.468 0.652 . . . . 0.34 110.919 -173.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 p -91.93 156.81 17.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.024 -1.102 . . . . 0.64 108.024 169.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.739 HG21 ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -50.39 -37.17 14.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 C-N-CA 120.273 -0.571 . . . . 0.19 110.79 177.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.605 ' O ' ' HG3' ' A' ' 45' ' ' MET . 30.1 mt-10 -53.12 -51.25 62.54 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.465 0.478 . . . . 0.82 110.168 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.506 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 34.6 m-20 -55.41 -41.14 72.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.494 -0.321 . . . . 0.66 111.332 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.682 ' HD1' HD23 ' A' ' 44' ' ' LEU . 3.2 t80 -60.32 -51.21 70.5 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.368 0.604 . . . . 0.23 109.446 176.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.729 HD21 HG22 ' A' ' 40' ' ' VAL . 3.5 mt -57.96 -32.2 67.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.432 -1.258 . . . . 0.17 109.567 -174.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.605 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 73.7 mtp -64.33 -59.04 4.85 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.637 0.585 . . . . 1.27 110.893 174.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 23.2 mt -49.3 -54.36 17.37 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.551 0.691 . . . . 0.14 110.845 178.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.601 ' HG3' ' OE2' ' A' ' 23' ' ' GLU . 1.1 ttt180 -58.23 -53.55 56.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.599 -1.182 . . . . 2.08 110.723 178.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.871 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 7.9 m170 -42.67 -60.69 1.47 Allowed 'General case' 0 C--O 1.218 -0.588 0 O-C-N 123.602 0.564 . . . . 0.47 111.342 175.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.563 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 18.7 mtt180 -56.19 -45.92 79.61 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.208 -0.597 . . . . 0.69 109.92 -173.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.68 -58.74 7.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.604 -0.725 . . . . 0.42 111.496 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.44 -40.27 71.35 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.616 0.599 . . . . 0.52 112.616 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.871 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 21.2 mt -80.67 -70.02 0.56 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.491 -0.322 . . . . 0.46 110.592 -174.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.51 28.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.23 -0.986 . . . . 0.55 113.427 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -109.17 139.54 43.94 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.482 0.658 . . . . 0.3 111.376 177.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -118.95 52.64 1.04 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.413 -0.812 . . . . 1.93 111.385 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -75.95 130.77 38.98 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.729 -0.841 . . . . 0.93 108.729 170.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.678 ' HA ' HG22 ' A' ' 60' ' ' VAL . 2.8 p-10 -40.42 -42.59 1.63 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 116.295 1.961 . . . . 0.7 116.295 -169.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.2 p30 -61.65 -38.28 87.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 119.475 1.034 . . . . 2.31 109.952 -178.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 62' ' ' PHE . . . -73.18 -32.45 64.84 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.368 -1.287 . . . . 0.13 111.697 176.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' A' ' 57' ' ' ASN . 4.2 m -73.86 -39.96 52.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 C-N-CA 119.783 -0.767 . . . . 0.25 110.15 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -65.48 -26.19 67.82 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.036 -0.529 . . . . 1.71 110.358 174.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.472 ' HB2' HD13 ' A' ' 46' ' ' LEU . 89.7 t80 -66.92 -59.69 3.29 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.71 -0.677 . . . . 0.18 110.21 174.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.598 ' HB2' ' ND2' ' A' ' 67' ' ' ASN . 4.0 ppt_? -63.67 -48.56 76.67 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 112.659 0.614 . . . . 1.44 112.659 -176.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.7 p -45.33 -38.29 5.61 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 111.969 0.359 . . . . 1.3 111.969 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.457 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 4.0 t90 -86.13 -42.26 14.03 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.015 0.376 . . . . 0.23 112.015 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.572 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 7.6 t-105 -77.88 -24.37 48.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.759 0.281 . . . . 0.39 111.759 -171.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.598 ' ND2' ' HB2' ' A' ' 63' ' ' ARG . 68.4 m-20 -85.34 -6.07 59.26 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.236 0.541 . . . . 0.38 111.297 -176.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.6 t -94.26 -16.96 23.14 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.482 0.658 . . . . 0.85 109.587 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.476 ' HG3' ' H ' ' A' ' 70' ' ' THR . 5.2 ptp180 -114.15 -65.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.361 -0.836 . . . . 1.7 111.213 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.476 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 44.1 m -98.61 -57.35 2.21 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.176 -0.92 . . . . 0.33 111.744 -176.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.505 ' C ' ' HG3' ' A' ' 72' ' ' MET . 52.4 mtpt 74.76 32.26 0.86 Allowed 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.723 1.264 . . . . 1.2 109.574 -170.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.505 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.465 0 CA-C-N 113.743 -1.571 . . . . 1.2 114.808 175.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.554 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.6 m-85 . . . . . 0 N--CA 1.446 -0.626 0 N-CA-C 109.051 -0.722 . . . . 0.79 109.051 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.444 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 35.8 ttp180 -163.72 146.36 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.221 -0.445 . . . . 1.67 110.179 169.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.89 42.77 99.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 1.39 112.463 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.554 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -149.99 34.18 0.67 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.351 0.596 . . . . 1.85 110.571 -179.156 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.66 27.45 71.0 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.309 -0.948 . . . . 1.05 110.935 -175.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.454 HG21 HD12 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -50.07 126.81 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 CA-C-O 121.935 0.874 . . . . 0.43 112.543 -178.216 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.64 -19.55 15.39 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 113.948 -1.478 . . . . 0.35 109.174 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.123 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.32 165.91 0.11 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.124 -0.944 . . . . 1.14 109.526 176.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.858 ' N ' HD13 ' A' ' 19' ' ' LEU . 8.3 t -60.79 168.89 2.09 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.293 -0.879 . . . . 0.88 110.554 175.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.59 -44.06 95.13 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.225 0.824 . . . . 2.15 113.225 -167.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.465 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 32.3 t70 -78.91 -63.48 1.41 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.261 0.467 . . . . 2.05 112.261 -171.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 1.123 ' HB2' HD11 ' A' ' 19' ' ' LEU . 28.8 mt-10 -45.98 -37.59 6.72 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.604 0.964 . . . . 2.01 113.604 -174.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.828 ' CE2' HG21 ' A' ' 40' ' ' VAL . 37.1 t80 -64.43 -58.51 6.23 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.089 0.471 . . . . 0.22 110.329 -177.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -40.79 61.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.137 0.494 . . . . 1.8 111.21 171.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.598 ' HB3' ' CZ2' ' A' ' 66' ' ' TRP . 13.1 mm-40 -69.32 -22.89 63.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 1.27 111.683 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.585 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -63.8 -36.97 85.65 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.16 110.105 174.553 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.445 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 40.4 mtm180 -62.16 -36.25 81.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.731 -0.668 . . . . 2.63 109.357 177.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.82 -38.33 73.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.93 -0.577 . . . . 0.97 110.715 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 13.2 t-160 -51.59 -41.79 61.46 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.179 -0.464 . . . . 0.14 110.369 173.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.522 ' OD1' HD23 ' A' ' 38' ' ' LEU . 27.3 m-20 -53.91 -48.05 70.56 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.35 0.595 . . . . 1.78 110.655 175.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.23 -60.48 2.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.194 -0.912 . . . . 0.19 112.155 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 t -58.97 -42.4 89.85 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.02 0.748 . . . . 0.27 113.02 -171.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -92.31 6.9 45.12 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.972 0.73 . . . . 1.04 112.972 -171.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.55 54.68 8.95 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.039 -0.528 . . . . 1.27 111.028 177.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.549 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -144.24 -175.04 4.46 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.921 -0.77 . . . . 0.36 108.921 -176.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -149.24 93.46 2.08 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.098 -0.705 . . . . 1.0 109.098 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.549 HD22 HD13 ' A' ' 36' ' ' LEU . 2.3 pt? -123.31 154.63 38.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.308 0.575 . . . . 0.34 110.621 -176.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -83.7 168.93 15.81 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.038 -0.983 . . . . 0.64 108.808 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.828 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -63.96 -42.11 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 C-N-CA 119.928 -0.709 . . . . 0.19 110.613 -174.558 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.612 ' O ' ' HG3' ' A' ' 45' ' ' MET . 24.5 mt-10 -45.89 -54.72 7.72 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.793 0.683 . . . . 0.82 110.131 178.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.513 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 7.1 m-20 -54.67 -42.6 71.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.518 -0.764 . . . . 0.66 111.608 178.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.724 ' HD1' HD23 ' A' ' 44' ' ' LEU . 16.5 t80 -60.89 -54.39 45.61 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.46 0.648 . . . . 0.23 109.655 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.724 HD23 ' HD1' ' A' ' 43' ' ' PHE . 2.9 mt -54.32 -33.78 59.6 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 114.224 -1.353 . . . . 0.17 109.609 -176.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.612 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 81.0 mtp -60.89 -59.09 5.93 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.469 0.481 . . . . 1.27 110.866 174.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.58 HD13 ' HB2' ' A' ' 62' ' ' PHE . 22.1 mt -48.1 -52.76 19.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.151 -0.931 . . . . 0.14 111.88 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.478 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -69.33 -42.37 75.42 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.888 -0.325 . . . . 2.08 110.503 -179.481 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.929 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -47.5 -64.19 0.85 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.826 -0.625 . . . . 0.47 110.964 176.235 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.531 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 17.0 mtt180 -54.63 -50.97 66.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.045 0.45 . . . . 0.69 110.808 -172.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.56 -54.04 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.924 -1.035 . . . . 0.42 111.461 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.71 88.36 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.606 0.595 . . . . 0.52 112.606 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.929 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 15.5 mt -84.7 -73.95 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.117 -0.233 . . . . 0.46 110.583 -172.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.93 39.32 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.467 -0.873 . . . . 0.55 112.645 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -122.16 141.87 50.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.014 0.435 . . . . 0.3 110.24 178.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -116.53 41.24 2.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.83 0.678 . . . . 1.93 112.83 -172.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 3.6 t70 -63.51 125.67 24.98 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.935 -0.765 . . . . 0.93 108.935 170.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.584 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.2 p-10 -46.07 -36.05 5.42 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 115.181 1.549 . . . . 0.7 115.181 -171.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -62.55 -44.12 97.12 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.663 -0.866 . . . . 2.31 108.663 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.72 88.48 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 113.771 -1.558 . . . . 0.13 111.489 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.584 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.8 m -76.06 -37.4 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 119.939 -0.704 . . . . 0.25 110.581 -176.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -70.8 -31.28 67.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 120.879 0.371 . . . . 1.71 110.428 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.58 ' HB2' HD13 ' A' ' 46' ' ' LEU . 81.0 t80 -60.42 -53.25 59.78 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 108.966 -0.753 . . . . 0.18 108.966 170.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -48.88 -59.27 3.73 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.72 -1.127 . . . . 1.44 110.715 175.374 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.8 t -41.04 -60.11 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.936 0.772 . . . . 1.3 111.996 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.451 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 8.1 t90 -67.8 -53.05 30.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.692 0.282 . . . . 0.23 111.572 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.63 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 23.3 t-105 -68.25 -27.24 66.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.375 -0.375 . . . . 0.39 111.61 -169.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.544 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 15.4 m-80 -90.1 -1.26 57.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.967 0.358 . . . . 0.38 111.967 -176.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -94.01 -15.91 24.39 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.983 0.897 . . . . 0.85 109.396 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.98 -64.14 1.35 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.377 -1.283 . . . . 1.7 110.319 -175.16 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -95.59 -64.83 1.02 Allowed 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 114.579 -1.191 . . . . 0.33 111.913 -176.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HG2' ' HA ' ' A' ' 67' ' ' ASN . 36.3 mtpt 63.72 85.85 0.13 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.201 -1.363 . . . . 1.2 107.762 -159.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.63 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 4.5 ptt? . . . . . 0 C--N 1.315 -0.932 0 CA-C-N 112.218 -2.265 . . . . 1.2 115.938 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.632 ' HB2' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.296 0.57 . . . . 0.79 109.953 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.42 ' CD ' ' HB3' ' A' ' 41' ' ' GLU . 11.9 ttp180 -158.55 176.6 12.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.245 -1.391 . . . . 1.67 107.245 170.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.91 -62.6 4.19 Favored Glycine 0 CA--C 1.509 -0.324 0 C-N-CA 119.16 -1.495 . . . . 1.39 113.845 171.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.632 ' HD3' ' HB2' ' A' ' 12' ' ' TYR . 6.6 ptm180 -65.97 28.5 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 125.175 1.39 . . . . 1.85 113.698 -175.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.77 -33.71 1.65 Allowed Glycine 0 C--O 1.227 -0.335 0 C-N-CA 120.626 -0.797 . . . . 1.05 111.202 -172.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 45.6 116.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.873 1.669 . . . . 0.43 114.482 176.135 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.38 -24.97 39.39 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.017 -1.447 . . . . 0.35 109.868 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.894 HD21 ' HB3' ' A' ' 23' ' ' GLU . 44.5 tp 60.03 -172.17 0.13 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.308 -0.86 . . . . 1.14 109.12 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.463 HG22 ' HB2' ' A' ' 23' ' ' GLU . 14.4 t -86.79 177.98 7.14 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 119.273 -0.971 . . . . 0.88 109.472 176.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.16 -50.69 65.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.627 0.251 . . . . 2.15 111.36 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -66.95 -63.49 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.119 -0.491 . . . . 2.05 111.145 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.894 ' HB3' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -45.53 -48.92 14.19 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.628 0.973 . . . . 2.01 113.628 -173.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.83 ' CE2' HG21 ' A' ' 40' ' ' VAL . 30.4 t80 -66.14 -52.77 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.233 0.539 . . . . 0.22 110.579 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.26 -43.87 71.33 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.345 -0.843 . . . . 1.8 110.494 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.697 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 18.3 mm-40 -68.72 -26.13 65.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.582 -0.736 . . . . 1.27 111.749 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CD2' HG23 ' A' ' 40' ' ' VAL . 2.5 t90 -61.48 -38.21 86.47 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.068 0.461 . . . . 0.16 110.323 175.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -63.67 -29.97 71.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.578 -0.737 . . . . 2.63 109.373 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.15 -40.4 59.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.949 -0.569 . . . . 0.97 110.786 172.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.472 ' CE1' HD13 ' A' ' 38' ' ' LEU . 16.3 t-160 -50.81 -42.77 58.53 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.576 -0.284 . . . . 0.14 110.287 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.642 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 44.4 t-20 -54.18 -56.75 15.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.798 0.686 . . . . 1.78 110.236 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.56 -59.75 4.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.219 -0.9 . . . . 0.19 112.297 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.4 t -59.34 -39.81 84.34 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.101 0.778 . . . . 0.27 113.101 -171.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 28.3 mmm180 -93.92 -3.49 51.58 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.585 -0.446 . . . . 1.04 112.018 -176.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 65.01 22.31 12.4 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.351 0.596 . . . . 1.27 111.314 172.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.67 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -92.82 -163.18 1.01 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.76 -0.655 . . . . 0.36 109.426 176.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -148.05 45.52 1.08 Allowed 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.524 -1.288 . . . . 1.0 107.524 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.67 HD22 HD13 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -73.9 155.15 39.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.871 -1.513 . . . . 0.34 110.485 -173.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -103.4 155.42 18.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.077 -1.083 . . . . 0.64 108.077 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -47.03 -43.53 7.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 114.02 1.119 . . . . 0.19 114.02 -170.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 45' ' ' MET . 39.5 mt-10 -48.93 -50.98 32.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 118.271 0.487 . . . . 0.82 110.776 -177.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.605 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 4.2 m-20 -58.86 -38.45 78.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.66 111.816 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.628 ' HD1' HD23 ' A' ' 44' ' ' LEU . 54.6 t80 -60.42 -50.11 74.88 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 108.848 -0.797 . . . . 0.23 108.848 175.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.806 ' CD2' HD22 ' A' ' 19' ' ' LEU . 1.6 mt -60.54 -33.14 72.23 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.046 -1.434 . . . . 0.17 109.99 -174.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.571 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 88.9 mtp -64.68 -57.14 9.84 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.704 0.627 . . . . 1.27 110.464 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 28.6 mt -50.24 -56.78 9.68 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.949 -0.569 . . . . 0.14 111.79 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.617 ' HE ' ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -61.44 -43.13 99.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.589 . . . . 2.08 110.747 -177.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.924 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -47.5 -64.67 0.72 Allowed 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.749 -0.66 . . . . 0.47 110.882 172.28 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 5.9 mtt180 -59.24 -43.19 92.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.108 0.48 . . . . 0.69 110.557 -168.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.7 84.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.972 -1.013 . . . . 0.42 111.77 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.74 -35.99 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.184 0.439 . . . . 0.52 112.184 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.924 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 20.3 mt -71.68 -75.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.517 -0.549 . . . . 0.46 109.517 -176.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.62 1.41 0.02 OUTLIER Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.135 -1.031 . . . . 0.55 113.173 170.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.576 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -81.08 128.68 33.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.342 0.592 . . . . 0.3 111.299 -176.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -108.62 39.53 1.98 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.547 -0.751 . . . . 1.93 111.956 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -70.17 121.29 17.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.547 -0.909 . . . . 0.93 108.547 173.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.655 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.4 p-10 -38.0 -40.62 0.49 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 116.235 1.939 . . . . 0.7 116.235 -170.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.433 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.4 p-10 -59.19 -36.4 75.29 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.616 1.098 . . . . 2.31 110.131 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -75.06 -33.97 61.76 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.663 -1.153 . . . . 0.13 111.51 176.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.655 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.0 m -75.26 -35.85 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.011 -0.675 . . . . 0.25 110.275 -176.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -70.3 -31.29 68.56 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.171 -0.468 . . . . 1.71 110.082 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' HB2' HD13 ' A' ' 46' ' ' LEU . 83.7 t80 -62.14 -53.75 50.86 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 108.85 -0.796 . . . . 0.18 108.85 171.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.601 ' HA ' HD22 ' A' ' 67' ' ' ASN . 0.3 OUTLIER -50.41 -60.3 3.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.171 -0.922 . . . . 1.44 111.156 175.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 t -41.87 -51.73 4.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.049 0.843 . . . . 1.3 112.544 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.486 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 5.7 t90 -77.26 -45.41 26.47 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.032 0.382 . . . . 0.23 112.032 -177.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.697 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 41.3 t-105 -76.37 -58.39 3.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.45 -0.341 . . . . 0.39 111.326 -172.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.601 HD22 ' HA ' ' A' ' 63' ' ' ARG . 38.9 m-80 -54.97 -4.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.236 1.199 . . . . 0.38 114.236 172.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -91.23 -20.19 22.2 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.322 -0.551 . . . . 0.85 110.129 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.465 ' HG3' ' H ' ' A' ' 70' ' ' THR . 6.8 ptp180 -112.68 -60.68 1.84 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.927 -0.579 . . . . 1.7 111.622 -178.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.465 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 14.5 m -98.68 -61.3 1.39 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.187 -0.915 . . . . 0.33 112.492 -173.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.615 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.5 mtpt 80.69 9.27 1.16 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 114.422 -1.263 . . . . 1.2 111.454 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.695 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 115.052 1.501 . . . . 1.2 115.052 168.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.703 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.8 m-85 . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.292 -0.632 . . . . 0.79 109.292 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -167.71 119.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.786 -0.643 . . . . 1.67 109.802 169.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.512 ' HA2' ' OE1' ' A' ' 41' ' ' GLU . . . 114.68 -45.69 1.27 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.277 -0.963 . . . . 1.39 113.145 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.703 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -80.19 56.48 2.46 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.117 0.784 . . . . 1.85 113.117 -172.618 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.5 28.13 72.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.103 -1.046 . . . . 1.05 111.557 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.618 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -50.9 137.9 8.04 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 N-CA-C 113.818 1.044 . . . . 0.43 113.818 -175.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.29 -9.22 12.84 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 113.769 -1.56 . . . . 0.35 109.24 174.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.816 HD13 ' N ' ' A' ' 20' ' ' THR . 3.3 tm? 59.29 172.54 0.07 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.208 -0.906 . . . . 1.14 109.601 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.816 ' N ' HD13 ' A' ' 19' ' ' LEU . 7.2 t -60.2 164.51 4.1 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.049 -1.032 . . . . 0.88 110.082 172.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -62.99 -44.26 96.52 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.125 0.787 . . . . 2.15 113.125 -163.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.96 -60.73 2.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.855 0.359 . . . . 2.05 111.866 -172.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.696 ' OE1' ' HD2' ' A' ' 47' ' ' ARG . 5.5 mt-10 -45.79 -35.87 4.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.438 1.273 . . . . 2.01 114.438 -177.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.724 ' CD2' HG21 ' A' ' 40' ' ' VAL . 29.4 t80 -64.56 -58.54 6.08 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.02 -0.425 . . . . 0.22 110.252 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.38 -40.23 64.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.621 0.724 . . . . 1.8 110.936 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.544 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 9.0 mm-40 -68.46 -20.1 64.6 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.596 -0.729 . . . . 1.27 111.983 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.626 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -67.62 -34.05 76.19 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.027 0.442 . . . . 0.16 109.826 172.699 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -59.21 -36.01 74.63 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.671 -0.695 . . . . 2.63 109.207 174.749 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -73.88 -38.65 64.35 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.535 -0.757 . . . . 0.97 110.88 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -50.55 -42.78 55.77 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 110.18 -0.304 . . . . 0.14 110.18 173.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.514 ' ND2' ' HA ' ' A' ' 37' ' ' ASP . 25.9 t-20 -52.65 -50.34 63.39 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.745 0.653 . . . . 1.78 109.928 175.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.36 -61.06 2.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.035 -0.984 . . . . 0.19 112.358 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.407 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 33.9 t -59.13 -37.4 77.16 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.446 0.906 . . . . 0.27 113.446 -169.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.629 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 15.3 mmm180 -93.76 1.8 56.41 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.325 -0.55 . . . . 1.04 111.681 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER 54.73 53.99 9.78 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.208 -0.905 . . . . 1.27 110.433 177.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.663 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -137.37 -175.82 4.19 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.326 -0.99 . . . . 0.36 108.326 -177.561 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.514 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 27.0 t70 -146.46 77.25 1.47 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.766 0.793 . . . . 1.0 109.998 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.663 HD22 HD13 ' A' ' 36' ' ' LEU . 2.1 pt? -106.04 155.47 19.37 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.925 -1.034 . . . . 0.34 110.566 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.5 m -84.63 167.58 16.1 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 114.944 -1.026 . . . . 0.64 108.932 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.724 HG21 ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -63.3 -43.12 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 C-N-CA 120.111 -0.635 . . . . 0.19 110.721 -172.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' OE1' ' HA2' ' A' ' 14' ' ' GLY . 36.2 mt-10 -49.68 -50.11 44.89 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.623 0.577 . . . . 0.82 110.591 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.534 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.3 m-20 -57.23 -38.79 74.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.777 0.288 . . . . 0.66 111.777 177.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.786 ' HD1' HD23 ' A' ' 44' ' ' LEU . 3.7 t80 -62.6 -51.57 66.78 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.107 -0.701 . . . . 0.23 109.107 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.786 HD23 ' HD1' ' A' ' 43' ' ' PHE . 2.9 mt -57.09 -31.87 65.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.519 -1.218 . . . . 0.17 110.165 -176.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.549 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 59.2 mtm -63.11 -58.47 7.15 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.248 0.342 . . . . 1.27 110.505 171.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 16.9 mt -47.47 -55.14 9.67 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.658 -0.701 . . . . 0.14 111.946 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.696 ' HD2' ' OE1' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -64.45 -44.77 90.07 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 116.31 -0.404 . . . . 2.08 110.462 -178.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.936 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -47.0 -64.06 0.88 Allowed 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.981 -0.554 . . . . 0.47 110.252 174.542 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.582 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 23.4 mtt-85 -57.23 -51.05 70.92 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.234 -0.587 . . . . 0.69 110.355 -173.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.28 -59.84 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.288 -0.869 . . . . 0.42 111.896 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.09 -31.74 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.016 0.747 . . . . 0.52 113.016 -177.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.936 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -87.22 -69.53 0.68 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.627 -0.429 . . . . 0.46 110.616 -176.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.89 35.43 0.02 OUTLIER Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.428 -0.892 . . . . 0.55 113.191 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.582 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -119.05 141.1 49.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.509 -0.552 . . . . 0.3 109.509 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -120.91 47.3 1.84 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.636 0.606 . . . . 1.93 112.636 -171.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.464 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 15.3 t70 -66.81 126.56 29.41 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.685 -0.857 . . . . 0.93 108.685 168.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.648 ' O ' HG22 ' A' ' 60' ' ' VAL . 7.4 p-10 -45.91 -37.59 6.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 115.146 1.536 . . . . 0.7 115.146 -169.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -63.12 -40.31 97.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 119.356 0.98 . . . . 2.31 109.152 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 62' ' ' PHE . . . -66.17 -32.46 73.91 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.763 -1.562 . . . . 0.13 111.714 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.8 m -76.19 -37.38 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 C-N-CA 119.76 -0.776 . . . . 0.25 109.813 -177.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 24.0 mtpt -64.69 -30.8 71.83 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.378 0.608 . . . . 1.71 109.9 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.486 ' HB2' HD13 ' A' ' 46' ' ' LEU . 89.1 t80 -64.86 -57.71 8.13 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.19 -0.914 . . . . 0.18 108.86 173.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.538 ' HA ' HD22 ' A' ' 67' ' ' ASN . 0.7 OUTLIER -50.68 -61.47 2.18 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.266 -0.879 . . . . 1.44 111.743 178.233 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.471 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 59.0 m -46.63 -42.7 16.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.974 0.731 . . . . 1.3 112.974 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.629 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 6.5 t90 -81.35 -48.85 11.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.038 0.446 . . . . 0.23 111.614 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.544 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 25.8 t-105 -74.62 -24.37 58.85 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.931 -0.577 . . . . 0.39 111.523 -172.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.538 HD22 ' HA ' ' A' ' 63' ' ' ARG . 18.1 m-80 -92.94 -0.13 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.938 0.399 . . . . 0.38 111.7 -176.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -93.86 -15.93 24.56 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.56 0.695 . . . . 0.85 109.203 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.5 ptp180 -114.91 -59.28 2.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.81 -1.086 . . . . 1.7 111.02 -173.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.505 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 22.6 m -102.2 -59.28 1.73 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.477 -1.238 . . . . 0.33 111.794 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.565 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.6 mtpt 72.27 26.79 2.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.299 -1.319 . . . . 1.2 109.43 -169.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.629 ' HB2' ' OE2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.703 0 CA-C-N 113.388 -1.733 . . . . 1.2 115.316 169.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.614 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-85 . . . . . 0 C--O 1.234 0.255 0 N-CA-C 109.423 -0.584 . . . . 0.79 109.423 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.457 ' NE ' ' HB3' ' A' ' 41' ' ' GLU . 27.3 ttt180 -156.53 141.67 17.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.499 0.499 . . . . 1.67 110.352 167.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.16 -33.95 2.43 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 121.204 -0.522 . . . . 1.39 113.668 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.614 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -76.95 47.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.364 0.505 . . . . 1.85 112.364 -176.336 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.16 28.95 73.16 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.338 -0.934 . . . . 1.05 111.088 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.535 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -52.67 130.96 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.836 0 CA-C-O 122.281 1.039 . . . . 0.43 113.299 -176.278 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.79 -10.14 14.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 113.364 -1.743 . . . . 0.35 108.735 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.036 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.3 tm? 59.89 179.48 0.09 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.998 -1.001 . . . . 1.14 108.467 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.866 ' N ' HD13 ' A' ' 19' ' ' LEU . 10.1 t -64.59 171.45 3.27 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 120.663 -1.273 . . . . 0.88 109.545 170.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -66.59 -40.15 88.77 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 121.602 -0.686 . . . . 2.15 112.732 -167.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -82.01 -64.73 1.12 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.273 0.472 . . . . 2.05 112.273 -169.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 1.036 ' HB2' HD11 ' A' ' 19' ' ' LEU . 55.7 mt-10 -46.67 -32.91 3.84 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.825 1.046 . . . . 2.01 113.825 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.678 ' CE2' HG21 ' A' ' 40' ' ' VAL . 40.2 t80 -64.45 -58.06 7.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.098 0.475 . . . . 0.22 110.119 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -55.36 -41.21 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.517 0.675 . . . . 1.8 110.668 173.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.579 ' HB3' ' CZ2' ' A' ' 66' ' ' TRP . 6.5 mm-40 -66.83 -22.24 66.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.548 -0.751 . . . . 1.27 111.781 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -64.16 -35.7 81.65 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.024 0.44 . . . . 0.16 109.882 173.454 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -61.03 -36.2 78.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.629 -0.714 . . . . 2.63 109.333 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -70.87 -41.94 70.72 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.236 -0.438 . . . . 0.97 110.615 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -49.71 -43.28 47.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.501 -0.318 . . . . 0.14 110.838 174.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.658 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 8.8 t30 -56.03 -46.79 78.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.262 0.553 . . . . 1.78 110.444 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.84 -60.27 2.81 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.089 -0.959 . . . . 0.19 112.028 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.4 t -60.66 -34.66 74.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.456 0.91 . . . . 0.27 113.456 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 23.2 mmm180 -96.82 5.26 50.92 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.973 -0.691 . . . . 1.04 112.78 -175.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.03 56.59 6.87 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.847 -0.615 . . . . 1.27 110.924 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.675 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -140.77 -176.82 4.8 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.766 -0.827 . . . . 0.36 108.766 -177.179 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -139.2 68.57 1.37 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.431 -1.322 . . . . 1.0 107.431 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.675 HD22 HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -101.83 144.42 30.52 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.456 -1.247 . . . . 0.34 109.473 -173.043 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 m -85.04 168.63 14.73 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.915 -0.772 . . . . 0.64 108.915 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.687 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -60.3 -43.19 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 120.534 -0.467 . . . . 0.19 110.396 -174.568 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.592 ' O ' ' HG3' ' A' ' 45' ' ' MET . 51.8 mt-10 -44.06 -57.35 3.43 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 123.985 0.803 . . . . 0.82 111.324 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.58 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.1 m-20 -59.29 -35.95 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.66 111.974 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.703 ' HD1' HD23 ' A' ' 44' ' ' LEU . 17.0 t80 -60.85 -55.45 32.92 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.15 -0.685 . . . . 0.23 109.15 173.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.721 HD22 ' HG ' ' A' ' 19' ' ' LEU . 2.7 mt -53.39 -34.49 57.89 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 114.159 -1.382 . . . . 0.17 109.543 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.592 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 87.0 mtp -63.74 -58.58 6.42 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.581 0.551 . . . . 1.27 111.13 174.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 33.2 mt -48.82 -53.07 20.8 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.823 -0.626 . . . . 0.14 111.618 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HD2' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -66.27 -42.43 88.46 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.538 -0.301 . . . . 2.08 110.39 179.125 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.873 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -46.21 -62.74 1.21 Allowed 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.986 -0.552 . . . . 0.47 110.964 174.636 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 17.8 mtt180 -56.92 -45.99 82.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.116 0.484 . . . . 0.69 110.602 -175.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.26 -57.15 14.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.159 -0.928 . . . . 0.42 111.152 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.02 83.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.79 -0.641 . . . . 0.52 112.593 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.873 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 15.4 mt -77.18 -69.06 0.55 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.515 -0.311 . . . . 0.46 110.282 -170.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.31 35.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.124 -1.036 . . . . 0.55 113.453 173.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -114.85 139.7 49.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.081 0.467 . . . . 0.3 110.23 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -119.12 51.23 1.14 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.146 -0.479 . . . . 1.93 112.166 -171.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' O ' HG13 ' A' ' 60' ' ' VAL . 20.6 t70 -74.03 128.73 36.3 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.102 -0.703 . . . . 0.93 109.102 167.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.595 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.1 p-10 -49.39 -31.69 10.07 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 115.437 1.643 . . . . 0.7 115.437 -170.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -64.0 -44.33 92.96 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.579 -0.897 . . . . 2.31 108.579 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.2 -35.86 82.38 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.999 -1.455 . . . . 0.13 111.623 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.595 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.4 m -75.14 -36.85 38.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 119.979 -0.689 . . . . 0.25 110.834 -175.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 80.9 mttt -73.34 -29.35 62.61 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.98 -0.288 . . . . 1.71 110.606 175.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.54 ' HB2' HD13 ' A' ' 46' ' ' LEU . 73.3 t80 -58.64 -54.37 47.84 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.408 -0.96 . . . . 0.18 108.408 168.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.82 -59.49 4.05 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.99 -1.005 . . . . 1.44 111.386 175.111 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -43.12 -54.7 4.26 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.315 0.487 . . . . 1.3 112.315 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.495 ' CE3' ' HB2' ' A' ' 66' ' ' TRP . 7.8 t90 -70.03 -50.74 38.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.426 . . . . 0.23 111.801 -178.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.579 ' CZ2' ' HB3' ' A' ' 26' ' ' GLU . 22.2 t-105 -74.24 -24.58 59.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.225 -0.443 . . . . 0.39 111.857 -171.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 18.7 m-80 -93.83 1.39 56.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.982 0.42 . . . . 0.38 111.742 -176.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -94.14 -16.4 23.78 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.971 -0.752 . . . . 0.85 108.971 172.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.512 ' HG3' ' H ' ' A' ' 70' ' ' THR . 9.3 ptp180 -114.42 -62.64 1.57 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.884 -1.053 . . . . 1.7 111.039 -173.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.512 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 25.9 m -99.31 -57.39 2.17 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.64 -1.163 . . . . 0.33 111.659 -174.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.545 ' C ' ' HG3' ' A' ' 72' ' ' MET . 30.1 mtpt 74.35 21.16 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 113.994 -1.457 . . . . 1.2 110.229 -173.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.576 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 115.113 1.523 . . . . 1.2 115.113 170.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.64 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.021 -0.363 . . . . 0.79 110.021 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 33.4 ttp-105 -157.94 141.37 15.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 1.67 109.919 168.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.85 -32.84 2.41 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.974 -0.631 . . . . 1.39 113.706 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.64 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -80.05 47.57 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.477 0.547 . . . . 1.85 112.477 -174.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.66 28.42 73.16 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.263 -0.97 . . . . 1.05 111.109 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.566 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -53.14 131.4 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 122.069 0.938 . . . . 0.43 113.079 -177.232 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.09 -9.58 13.53 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 113.619 -1.628 . . . . 0.35 109.429 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.778 HD22 HD22 ' A' ' 44' ' ' LEU . 59.1 tp 54.77 -169.17 0.07 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.327 -0.851 . . . . 1.14 109.317 178.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.602 ' H ' ' HG ' ' A' ' 19' ' ' LEU . 9.0 t -77.06 169.14 18.88 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.802 -1.159 . . . . 0.88 109.719 173.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -58.98 -54.25 49.24 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.809 0.338 . . . . 2.15 111.021 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.59 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 28.7 t70 -68.28 -63.06 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.933 -0.576 . . . . 2.05 111.403 -174.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.436 ' OE2' ' HB2' ' A' ' 72' ' ' MET . 47.5 mt-10 -49.37 -39.7 33.02 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.523 0.934 . . . . 2.01 113.523 -174.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.779 ' CE2' HG21 ' A' ' 40' ' ' VAL . 39.1 t80 -64.83 -54.59 28.63 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.235 0.541 . . . . 0.22 110.023 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.17 -41.36 62.54 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 1.8 111.228 171.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.631 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 13.3 mm-40 -67.75 -24.36 65.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.154 -0.476 . . . . 1.27 111.493 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.596 ' HB2' ' CG ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -62.17 -38.55 89.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.997 0.427 . . . . 0.16 110.02 173.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -62.03 -33.28 74.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.582 -0.735 . . . . 2.63 109.55 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -76.18 -39.11 55.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.97 110.956 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.456 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 11.4 t-160 -49.84 -41.37 44.87 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.355 -0.239 . . . . 0.14 110.355 172.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.434 ' HA ' HD12 ' A' ' 36' ' ' LEU . 26.4 t-20 -55.09 -51.36 66.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.905 -0.589 . . . . 1.78 110.063 175.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.89 -60.95 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.135 -0.939 . . . . 0.19 112.396 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.3 t -57.18 -45.91 83.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.855 0.687 . . . . 0.27 112.855 -172.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -84.75 -4.01 58.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.659 -0.416 . . . . 1.04 111.355 -177.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp 61.07 26.24 16.19 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.828 -0.624 . . . . 1.27 111.387 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.533 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -103.0 -168.36 1.51 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.565 -0.743 . . . . 0.36 110.194 -179.309 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -143.38 105.9 4.45 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 108.991 -0.744 . . . . 1.0 108.991 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 36' ' ' LEU . 1.6 pt? -138.59 160.75 38.83 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.817 -0.629 . . . . 0.34 110.505 -175.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -97.04 175.95 6.13 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.864 -1.062 . . . . 0.64 108.593 171.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.779 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.54 -39.93 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 C-N-CA 120.16 -0.616 . . . . 0.19 110.837 -172.805 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 40.7 mt-10 -49.06 -48.48 44.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.425 0.453 . . . . 0.82 110.725 178.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.497 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.1 m-20 -53.12 -47.33 68.73 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.892 -0.594 . . . . 0.66 111.222 176.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.596 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 39.3 t80 -59.33 -52.08 67.18 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-O 121.487 0.66 . . . . 0.23 109.558 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.778 HD22 HD22 ' A' ' 19' ' ' LEU . 2.5 mt -56.53 -35.15 67.76 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 114.055 -1.43 . . . . 0.17 109.915 -174.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.525 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 78.8 mtm -66.79 -58.55 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.457 0.473 . . . . 1.27 111.643 175.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 62' ' ' PHE . 16.6 mt -49.23 -53.33 22.03 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.459 0.647 . . . . 0.14 110.733 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -58.99 -54.57 45.64 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.787 -1.097 . . . . 2.08 110.647 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.882 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.2 m170 -39.57 -62.64 0.66 Allowed 'General case' 0 C--O 1.217 -0.645 0 O-C-N 124.021 0.826 . . . . 0.47 111.689 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.545 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 8.4 mtt180 -57.53 -45.81 84.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.899 0.381 . . . . 0.69 110.442 -171.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.49 -57.04 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 0.42 111.093 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.1 -45.01 61.37 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.261 0.625 . . . . 0.52 112.368 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.882 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.4 mt -83.9 -76.55 0.29 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.238 -0.437 . . . . 0.46 110.648 -172.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.81 14.14 0.02 OUTLIER Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.205 -0.998 . . . . 0.55 113.709 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.545 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -94.01 141.43 28.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.22 0.51 . . . . 0.3 110.855 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -123.2 48.76 1.77 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.458 0.54 . . . . 1.93 112.458 -176.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.33 127.52 33.33 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.657 -0.868 . . . . 0.93 108.657 169.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.622 ' O ' HG22 ' A' ' 60' ' ' VAL . 3.7 p-10 -37.4 -46.63 0.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.793 2.146 . . . . 0.7 116.793 -169.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -59.18 -37.2 76.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.766 1.166 . . . . 2.31 110.104 -176.591 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -72.0 -33.1 67.83 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.172 -1.376 . . . . 0.13 111.863 176.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 57' ' ' ASN . 3.6 m -75.2 -37.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.788 -0.765 . . . . 0.25 110.039 -176.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -65.2 -33.65 76.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.307 0.575 . . . . 1.71 110.062 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.513 ' HB2' HD13 ' A' ' 46' ' ' LEU . 75.2 t80 -62.08 -55.52 28.17 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.386 -0.825 . . . . 0.18 109.331 173.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.474 ' HA ' HD22 ' A' ' 67' ' ' ASN . 0.3 OUTLIER -49.68 -60.65 2.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.235 -0.893 . . . . 1.44 111.075 176.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.1 m -47.68 -35.96 10.37 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.568 0.951 . . . . 1.3 113.568 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.49 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 6.7 t90 -86.24 -48.48 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.179 -0.325 . . . . 0.23 111.577 177.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.64 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 31.1 t-105 -74.03 -22.29 59.62 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 122.695 0.398 . . . . 0.39 111.834 -170.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.474 HD22 ' HA ' ' A' ' 63' ' ' ARG . 22.6 m-80 -96.37 1.06 51.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.103 0.477 . . . . 0.38 111.25 -174.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.5 m -92.45 -17.7 24.21 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.529 0.681 . . . . 0.85 109.683 172.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.52 -65.75 1.15 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.999 -1.0 . . . . 1.7 110.898 -174.391 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 31.8 m -96.15 -58.75 2.0 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.625 -1.17 . . . . 0.33 112.185 -173.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.61 ' C ' ' HG3' ' A' ' 72' ' ' MET . 23.9 mtmt 72.99 25.9 2.3 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 124.285 0.991 . . . . 1.2 110.748 -171.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.64 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 115.151 1.538 . . . . 1.2 115.151 171.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.603 ' HB2' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER . . . . . 0 CA--C 1.518 -0.253 0 CA-C-O 120.939 0.399 . . . . 0.79 110.203 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.459 ' HG3' ' HG3' ' A' ' 45' ' ' MET . 4.7 tmm_? -170.04 138.83 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.062 -1.088 . . . . 1.67 108.062 172.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.438 ' N ' ' HD2' ' A' ' 13' ' ' ARG . . . 89.82 54.61 2.16 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 119.45 -1.357 . . . . 1.39 112.982 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.603 ' HD3' ' HB2' ' A' ' 12' ' ' TYR . 10.0 ptm180 -178.61 24.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.702 0.287 . . . . 1.85 111.276 -174.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.91 28.66 73.88 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.048 -1.072 . . . . 1.05 110.506 -173.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.618 HG21 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -38.36 139.31 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 113.868 1.062 . . . . 0.43 113.868 -179.486 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.51 -13.23 18.74 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.12 -1.4 . . . . 0.35 110.191 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.105 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 61.8 175.15 0.12 Allowed 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.917 0.761 . . . . 1.14 109.028 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.861 ' N ' HD13 ' A' ' 19' ' ' LEU . 9.3 t -65.89 -169.83 0.07 Allowed 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.143 -0.973 . . . . 0.88 109.48 168.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -73.91 -57.33 4.05 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.126 -0.984 . . . . 2.15 112.918 -172.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.2 m-20 -66.87 -64.73 0.79 Allowed 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.976 0.732 . . . . 2.05 112.976 -170.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 1.105 ' HB2' HD11 ' A' ' 19' ' ' LEU . 2.1 mp0 -46.14 -31.94 2.67 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.443 1.275 . . . . 2.01 114.443 -174.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.646 ' CD2' HG21 ' A' ' 40' ' ' VAL . 32.7 t80 -69.05 -52.34 29.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 118.421 0.555 . . . . 0.22 109.541 -178.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.95 -45.98 82.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.66 -0.7 . . . . 1.8 110.346 171.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.622 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.1 mm-40 -67.45 -24.3 65.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.507 -0.769 . . . . 1.27 111.637 -176.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.673 ' CD2' HG23 ' A' ' 40' ' ' VAL . 2.3 t90 -63.76 -37.54 87.74 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.963 0.411 . . . . 0.16 110.241 174.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 64.6 mtm180 -59.2 -37.73 78.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.744 -0.662 . . . . 2.63 109.41 176.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -72.25 -41.16 67.1 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.98 -0.555 . . . . 0.97 110.773 174.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 16.4 t-160 -47.63 -39.52 17.19 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.396 -0.366 . . . . 0.14 110.537 172.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.614 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 31.7 m-80 -58.14 -49.86 75.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 1.78 110.609 176.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.07 -60.67 2.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.472 -0.785 . . . . 0.19 111.537 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -57.6 -32.8 67.55 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.172 0.805 . . . . 0.27 113.172 -172.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.415 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 17.4 mmm180 -101.73 1.14 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.682 -0.407 . . . . 1.04 111.904 -177.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.38 26.76 16.5 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 122.868 0.467 . . . . 1.27 111.695 171.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.614 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -106.49 -167.07 1.25 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.14 0.495 . . . . 0.36 110.162 178.731 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -144.62 42.66 1.36 Allowed 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.953 -1.129 . . . . 1.0 107.953 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.614 HD22 HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -74.39 151.27 39.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.071 -1.422 . . . . 0.34 110.424 -174.78 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.0 m -87.3 169.68 12.09 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.457 -0.572 . . . . 0.64 109.457 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' CD2' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -64.62 -44.81 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 C-N-CA 120.54 -0.464 . . . . 0.19 110.415 -173.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 45' ' ' MET . 10.4 mt-10 -53.22 -46.12 68.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.953 -0.567 . . . . 0.82 110.846 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.1 m-20 -56.32 -42.39 77.58 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.221 -0.192 . . . . 0.66 111.277 174.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.659 ' CE1' ' HB3' ' A' ' 23' ' ' GLU . 2.2 t80 -60.3 -54.2 48.56 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.319 0.581 . . . . 0.23 109.704 175.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.62 HD22 ' HG ' ' A' ' 19' ' ' LEU . 4.3 mt -55.85 -30.09 60.91 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 114.653 -1.158 . . . . 0.17 110.418 -173.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.617 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 73.3 mtm -64.66 -55.64 18.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.796 0.685 . . . . 1.27 110.042 173.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 62' ' ' PHE . 21.4 mt -49.22 -56.15 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.453 -0.794 . . . . 0.14 111.712 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.564 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -67.22 -44.26 79.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.505 -0.316 . . . . 2.08 111.113 -179.028 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.885 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -41.88 -62.8 0.83 Allowed 'General case' 0 C--O 1.219 -0.53 0 O-C-N 123.38 0.425 . . . . 0.47 110.475 171.804 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.617 ' HG3' ' O ' ' A' ' 45' ' ' MET . 23.2 mtt-85 -58.27 -43.33 87.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.907 0.384 . . . . 0.69 110.575 -172.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.86 -57.43 12.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 0.42 111.326 178.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.86 82.56 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.583 0.586 . . . . 0.52 112.583 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.885 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 18.5 mt -78.14 -74.75 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.69 -0.232 . . . . 0.46 110.6 -174.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.48 14.32 0.02 OUTLIER Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.114 -1.041 . . . . 0.55 113.599 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -95.48 135.21 37.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.232 0.516 . . . . 0.3 110.807 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.69 48.08 1.18 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 1.93 111.348 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.1 128.35 35.29 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.039 -0.726 . . . . 0.93 109.039 172.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.651 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.6 p-10 -39.51 -45.62 1.59 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 116.649 2.092 . . . . 0.7 116.649 -170.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.432 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -63.02 -35.69 81.06 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.537 1.062 . . . . 2.31 109.957 -177.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.02 -36.51 72.42 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.511 -1.222 . . . . 0.13 111.544 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.5 m -75.95 -37.9 34.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 119.948 -0.701 . . . . 0.25 110.432 -176.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 81.5 mttt -70.04 -29.98 67.15 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.384 -0.371 . . . . 1.71 110.681 175.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.623 ' HB2' HD13 ' A' ' 46' ' ' LEU . 75.8 t80 -61.71 -55.12 33.72 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.793 -0.817 . . . . 0.18 108.793 169.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.614 ' HA ' HD22 ' A' ' 67' ' ' ASN . 0.3 OUTLIER -48.56 -58.77 4.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.725 -1.125 . . . . 1.44 111.004 176.3 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.9 t -40.41 -47.59 2.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.716 -0.674 . . . . 1.3 112.716 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.566 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.3 t90 -80.53 -47.24 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.902 0.334 . . . . 0.23 111.902 -178.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 44.4 t-105 -79.55 -24.77 41.92 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 111.902 0.334 . . . . 0.39 111.902 -170.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.614 HD22 ' HA ' ' A' ' 63' ' ' ARG . 19.2 m-80 -93.74 -2.51 53.65 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 121.383 0.611 . . . . 0.38 110.729 -176.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -93.43 -15.41 25.64 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.6 0.714 . . . . 0.85 109.158 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 7.7 ptp180 -113.19 -61.59 1.72 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.072 -0.967 . . . . 1.7 110.675 -176.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.523 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 19.6 m -103.71 -60.73 1.52 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.874 -1.057 . . . . 0.33 112.191 -173.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.484 ' C ' ' HG2' ' A' ' 72' ' ' MET . 45.9 mtpt 74.64 26.74 1.39 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.467 -1.242 . . . . 1.2 110.176 -171.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.577 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 13.7 ptt? . . . . . 0 N--CA 1.475 0.783 0 O-C-N 124.584 1.177 . . . . 1.2 113.903 172.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.556 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.5 m-85 . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 108.579 -0.897 . . . . 0.79 108.579 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' CD ' ' HB3' ' A' ' 41' ' ' GLU . 5.3 tmm_? -166.91 125.66 1.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.986 -0.746 . . . . 1.67 108.986 169.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.699 ' HA2' ' OE2' ' A' ' 41' ' ' GLU . . . 109.39 -43.83 1.63 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.183 -1.008 . . . . 1.39 113.155 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.556 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -77.69 47.64 0.63 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.048 0.759 . . . . 1.85 113.048 -173.279 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 63.42 29.18 73.8 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.346 -0.93 . . . . 1.05 111.249 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.521 HG21 HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -45.29 134.42 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 113.608 0.966 . . . . 0.43 113.608 -177.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.44 -16.77 14.46 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.05 -1.432 . . . . 0.35 109.4 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.089 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.53 173.6 0.14 Allowed 'General case' 0 CA--C 1.544 0.735 0 O-C-N 123.991 0.807 . . . . 1.14 109.195 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.872 ' N ' HD13 ' A' ' 19' ' ' LEU . 3.3 t -62.09 158.56 16.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.782 -1.198 . . . . 0.88 110.106 171.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -57.48 -43.66 84.3 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.397 0.517 . . . . 2.15 112.397 -171.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.13 -64.32 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.384 0.513 . . . . 2.05 112.384 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 1.089 ' HB2' HD11 ' A' ' 19' ' ' LEU . 31.6 mm-40 -50.37 -34.45 24.15 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.324 0.861 . . . . 2.01 113.324 -174.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.751 ' CE2' HG21 ' A' ' 40' ' ' VAL . 31.4 t80 -63.57 -58.23 7.62 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.122 0.487 . . . . 0.22 110.005 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -52.88 -43.97 66.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.312 0.577 . . . . 1.8 110.951 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.592 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 8.9 mm-40 -63.55 -24.92 68.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.782 -0.644 . . . . 1.27 111.703 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.589 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -62.9 -37.56 87.43 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.826 0.346 . . . . 0.16 110.287 174.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 34.4 mtm180 -59.92 -36.63 77.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.734 -0.666 . . . . 2.63 109.499 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -74.37 -37.57 63.43 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.048 -0.524 . . . . 0.97 110.773 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.466 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.4 t-160 -49.71 -39.3 36.51 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.692 -0.231 . . . . 0.14 110.545 172.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.49 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 8.9 m120 -56.21 -51.63 67.37 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.531 0.519 . . . . 1.78 110.183 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.94 -61.3 2.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.171 -0.922 . . . . 0.19 112.227 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.416 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 22.2 t -58.35 -36.51 73.54 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.998 0.74 . . . . 0.27 112.998 -171.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -91.25 -4.72 55.7 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.595 -0.442 . . . . 1.04 111.764 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 55.51 52.52 11.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.147 -0.933 . . . . 1.27 111.045 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.656 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -134.93 -173.14 3.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.454 -0.794 . . . . 0.36 109.311 -176.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.07 105.74 4.69 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.656 HD22 HD13 ' A' ' 36' ' ' LEU . 2.1 pt? -138.8 158.29 44.49 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.535 -0.757 . . . . 0.34 110.179 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.9 m -93.66 173.64 7.58 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.94 -1.027 . . . . 0.64 108.917 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.751 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.06 -44.23 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 C-N-CA 120.028 -0.669 . . . . 0.19 111.013 -169.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.699 ' OE2' ' HA2' ' A' ' 14' ' ' GLY . 16.5 mt-10 -47.63 -49.54 26.89 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.563 0.54 . . . . 0.82 110.463 177.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.479 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 39.6 m-20 -57.77 -40.09 79.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.987 -0.551 . . . . 0.66 111.063 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.731 ' HD1' HD23 ' A' ' 44' ' ' LEU . 12.7 t80 -62.06 -53.63 52.71 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.395 0.617 . . . . 0.23 109.539 175.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.778 HD22 ' HG ' ' A' ' 19' ' ' LEU . 2.7 mt -57.0 -29.81 63.62 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 114.477 -1.238 . . . . 0.17 109.937 -175.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 94.7 mtp -62.64 -57.18 11.98 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.477 0.486 . . . . 1.27 110.062 173.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.496 HD13 ' HB2' ' A' ' 62' ' ' PHE . 23.3 mt -52.12 -54.67 27.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.327 -0.851 . . . . 0.14 111.746 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.543 HH11 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -63.2 -45.75 90.26 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.769 -0.372 . . . . 2.08 110.637 -179.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.919 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -45.33 -62.39 1.29 Allowed 'General case' 0 C--O 1.216 -0.672 0 O-C-N 123.587 0.554 . . . . 0.47 111.299 174.341 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 4.2 mtt180 -53.88 -49.68 67.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.625 -0.43 . . . . 0.69 110.743 -172.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.89 -54.75 43.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.781 -0.645 . . . . 0.42 111.038 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.54 -36.68 69.52 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.054 0.761 . . . . 0.52 113.054 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.919 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.2 mt -88.64 -65.2 1.04 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.574 -0.285 . . . . 0.46 110.51 -173.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.44 17.63 0.02 OUTLIER Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.189 -1.005 . . . . 0.55 113.537 171.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.539 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -99.72 135.16 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.133 0.492 . . . . 0.3 111.074 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.37 52.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.438 0.637 . . . . 1.93 111.142 -176.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.98 129.44 38.12 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.193 -0.912 . . . . 0.93 109.388 170.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.663 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.6 p-10 -40.93 -43.77 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 115.434 1.642 . . . . 0.7 115.434 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' C ' HD22 ' A' ' 46' ' ' LEU . 4.5 m-20 -61.76 -38.61 88.63 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.067 0.849 . . . . 2.31 109.804 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.33 -34.0 67.74 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.161 -1.381 . . . . 0.13 111.746 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.663 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.3 m -78.3 -35.84 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 119.558 -0.857 . . . . 0.25 110.389 -177.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -72.06 -21.07 61.57 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.212 0.529 . . . . 1.71 110.295 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.496 ' HB2' HD13 ' A' ' 46' ' ' LEU . 72.0 t80 -70.55 -55.67 8.34 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.63 -0.878 . . . . 0.18 108.63 168.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -48.66 -61.75 1.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.122 -0.945 . . . . 1.44 111.464 177.32 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 43.0 p -43.55 -56.66 3.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.842 0.714 . . . . 1.3 112.353 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.466 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 10.1 t90 -64.9 -51.73 60.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.411 -0.359 . . . . 0.23 111.672 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 11.2 t-105 -69.27 -24.46 63.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.593 -0.276 . . . . 0.39 111.147 -171.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 22.0 m-80 -96.21 2.96 53.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.258 0.552 . . . . 0.38 111.119 -175.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.3 m -93.38 -18.91 21.85 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.891 0.853 . . . . 0.85 109.241 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.73 -67.46 1.0 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.657 -1.156 . . . . 1.7 111.039 -175.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.0 m -93.13 -58.64 2.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.602 -1.181 . . . . 0.33 111.796 -174.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.574 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.9 mtpt 73.72 22.94 2.44 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 114.563 -1.199 . . . . 1.2 109.661 -172.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.574 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.587 0 CA-C-N 113.857 -1.519 . . . . 1.2 115.096 172.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.536 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.0 m-85 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.899 -0.408 . . . . 0.79 109.899 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 9.6 ttp180 -158.52 139.85 13.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.575 -0.739 . . . . 1.67 110.155 169.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.17 -30.97 2.92 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.94 -0.648 . . . . 1.39 113.889 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.536 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -78.55 47.5 0.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.341 0.497 . . . . 1.85 112.341 -176.174 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.73 29.09 74.31 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.319 -0.943 . . . . 1.05 110.913 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.509 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -49.51 129.0 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 N-CA-C 113.39 0.885 . . . . 0.43 113.39 -175.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.1 -15.66 15.02 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.076 -1.42 . . . . 0.35 108.875 174.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.856 HD11 ' HB3' ' A' ' 23' ' ' GLU . 3.4 tm? 61.65 170.12 0.11 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.005 -0.998 . . . . 1.14 109.283 175.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.845 ' N ' HD13 ' A' ' 19' ' ' LEU . 9.0 t -58.47 162.38 3.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 120.938 -1.101 . . . . 0.88 110.002 172.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -63.72 -53.56 49.22 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.066 0.395 . . . . 2.15 112.066 -167.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.7 m-20 -64.15 -64.14 0.96 Allowed 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.465 -0.334 . . . . 2.05 111.455 -175.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.856 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -44.29 -41.07 5.69 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.438 0.903 . . . . 2.01 113.438 -176.242 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.7 ' CE2' HG21 ' A' ' 40' ' ' VAL . 45.7 t80 -67.34 -49.82 62.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.412 0.625 . . . . 0.22 110.276 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -58.09 -42.99 86.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.365 -0.834 . . . . 1.8 109.661 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.61 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.8 mm-40 -70.64 -21.73 62.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.099 -0.955 . . . . 1.27 111.301 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CD2' HG23 ' A' ' 40' ' ' VAL . 2.3 t90 -63.12 -38.11 89.89 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.195 0.521 . . . . 0.16 109.835 173.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -60.95 -36.95 80.71 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.292 -0.867 . . . . 2.63 109.567 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -74.1 -37.08 64.26 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.02 -0.537 . . . . 0.97 110.737 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.5 t-160 -52.66 -40.94 63.34 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.402 -0.363 . . . . 0.14 110.117 173.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.618 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 8.9 t30 -54.78 -50.7 67.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.761 -0.654 . . . . 1.78 110.383 175.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.56 -59.79 3.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.387 -0.824 . . . . 0.19 112.077 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.413 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 33.1 t -62.12 -28.56 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.841 0.682 . . . . 0.27 112.841 -171.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -101.11 1.88 39.71 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.92 -0.488 . . . . 1.04 111.561 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 57.93 27.19 14.32 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.204 0.602 . . . . 1.27 111.591 172.417 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.714 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -106.12 -171.69 1.95 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.693 -0.685 . . . . 0.36 109.542 178.177 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -140.63 53.14 1.61 Allowed 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.714 HD22 HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -85.09 149.37 25.6 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.34 -1.3 . . . . 0.34 110.272 -172.694 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -88.68 169.99 11.19 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.252 -0.647 . . . . 0.64 109.252 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.777 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -64.17 -41.46 92.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 120.579 -0.448 . . . . 0.19 110.969 -170.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' O ' ' HG3' ' A' ' 45' ' ' MET . 46.1 mt-10 -47.08 -54.84 9.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.739 0.65 . . . . 0.82 111.225 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.619 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 1.6 m-20 -54.25 -43.49 70.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.37 -0.377 . . . . 0.66 111.855 176.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.75 ' HD1' HD23 ' A' ' 44' ' ' LEU . 13.3 t80 -59.16 -52.84 63.97 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.274 0.559 . . . . 0.23 109.698 177.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.824 HD22 ' HG ' ' A' ' 19' ' ' LEU . 2.7 mt -54.64 -34.99 63.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.504 -1.226 . . . . 0.17 109.744 -177.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.598 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 79.5 mtp -64.35 -57.47 9.27 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.325 0.391 . . . . 1.27 110.608 173.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 21.7 mt -46.88 -54.62 9.57 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.729 -0.669 . . . . 0.14 111.752 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.584 HH11 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.85 -42.7 90.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.178 -0.465 . . . . 2.08 110.341 -178.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.905 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.4 m170 -48.3 -65.23 0.6 Allowed 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.402 -0.817 . . . . 0.47 110.655 173.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 45' ' ' MET . 4.5 mtt180 -57.2 -47.9 80.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.36 0.6 . . . . 0.69 110.042 -173.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.26 -57.58 9.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.212 -1.358 . . . . 0.42 112.187 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.06 -31.09 55.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 112.956 0.725 . . . . 0.52 112.956 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.905 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 22.7 mt -76.3 -74.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.135 -0.626 . . . . 0.46 110.087 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.97 35.71 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.325 -0.941 . . . . 0.55 112.825 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -119.69 138.92 52.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.464 -0.569 . . . . 0.3 109.464 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -124.6 49.99 1.76 Allowed 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.574 -0.451 . . . . 1.93 111.888 -172.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -72.47 134.55 45.38 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.557 -0.905 . . . . 0.93 108.557 170.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.44 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.0 p-10 -46.2 -39.28 9.52 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 115.623 1.712 . . . . 0.7 115.623 -168.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.5 p30 -61.34 -42.75 99.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.521 1.055 . . . . 2.31 109.416 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -67.57 -32.49 73.29 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.262 -1.336 . . . . 0.13 111.983 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.44 HG22 ' HA ' ' A' ' 57' ' ' ASN . 1.7 m -79.03 -36.56 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 119.411 -0.915 . . . . 0.25 110.133 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -71.67 -20.65 61.91 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.224 0.535 . . . . 1.71 109.941 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.592 ' HB2' HD13 ' A' ' 46' ' ' LEU . 88.6 t80 -71.69 -57.37 4.43 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.554 -0.906 . . . . 0.18 108.554 167.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.2 tmt_? -47.41 -62.23 1.53 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.127 -0.942 . . . . 1.44 111.839 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.471 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 7.7 p -45.39 -57.04 4.35 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 123.546 0.529 . . . . 1.3 112.375 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.485 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 10.7 t90 -61.06 -51.46 69.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.62 0.248 . . . . 0.23 111.563 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.61 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 12.0 t-105 -72.05 -26.16 62.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.308 -0.406 . . . . 0.39 111.616 -172.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 16.8 m-80 -93.52 2.65 56.35 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.201 0.524 . . . . 0.38 111.183 -175.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 55.3 m -93.49 -18.14 22.63 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.693 0.758 . . . . 0.85 109.5 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -114.73 -67.78 0.97 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.775 -1.102 . . . . 1.7 110.684 -174.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 m -92.11 -58.74 2.3 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.535 -1.211 . . . . 0.33 112.007 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.598 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.0 mtpt 74.72 21.94 2.07 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 114.444 -1.253 . . . . 1.2 110.166 -172.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.598 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.635 0 O-C-N 124.945 1.403 . . . . 1.2 114.395 172.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.566 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 113.082 0.771 . . . . 0.79 113.082 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HA ' HG11 ' A' ' 17' ' ' VAL . 14.1 ttp180 -171.5 136.62 1.0 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.35 -0.841 . . . . 1.67 109.806 168.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.82 -28.11 2.87 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.871 -0.68 . . . . 1.39 113.907 174.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.587 ' O ' ' HD3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -80.67 51.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.328 0.585 . . . . 1.85 111.791 -177.502 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.94 28.23 73.21 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.302 -0.952 . . . . 1.05 111.117 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.527 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 1.2 m -56.05 129.83 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.876 0 CA-C-O 122.356 1.074 . . . . 0.43 113.345 -174.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.02 -9.49 15.08 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 113.164 -1.834 . . . . 0.35 108.327 172.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.974 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.01 172.09 0.13 Allowed 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.819 -1.082 . . . . 1.14 109.088 175.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.839 ' N ' HD13 ' A' ' 19' ' ' LEU . 8.1 t -61.08 169.29 2.08 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.041 -1.037 . . . . 0.88 109.866 172.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.58 -55.88 20.27 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 113.293 0.849 . . . . 2.15 113.293 -165.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.6 -56.47 4.79 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.097 -0.241 . . . . 2.05 111.639 -171.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.974 ' HB2' HD11 ' A' ' 19' ' ' LEU . 32.6 mm-40 -45.92 -38.97 8.14 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.934 1.087 . . . . 2.01 113.934 -176.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.753 ' CE2' HG21 ' A' ' 40' ' ' VAL . 40.6 t80 -64.22 -57.64 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.116 0.484 . . . . 0.22 110.175 -178.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.94 -41.74 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.816 -0.629 . . . . 1.8 110.741 171.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.598 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 7.0 mm-40 -72.24 -18.51 61.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.752 -0.658 . . . . 1.27 112.229 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.662 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -65.28 -35.44 81.04 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.648 -0.501 . . . . 0.16 109.648 172.34 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 47.6 mtm180 -65.15 -31.67 72.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.575 -0.739 . . . . 2.63 109.473 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -77.21 -35.44 55.62 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.676 -0.41 . . . . 0.97 110.685 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.412 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 11.7 t-160 -53.12 -40.08 63.93 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.617 -0.512 . . . . 0.14 109.617 172.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.699 ' ND2' ' HA ' ' A' ' 37' ' ' ASP . 24.2 t-20 -51.61 -53.13 41.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.524 -0.762 . . . . 1.78 109.997 172.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.11 -60.72 2.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.033 -0.985 . . . . 0.19 112.345 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.411 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 35.0 t -60.5 -32.33 71.34 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.68 0.622 . . . . 0.27 112.68 -170.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -96.42 -0.33 49.38 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.668 -0.413 . . . . 1.04 111.69 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 61.51 21.86 12.41 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.047 -0.524 . . . . 1.27 111.668 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.637 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -102.48 -168.46 1.53 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.145 -0.687 . . . . 0.36 109.145 176.466 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.699 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 24.3 t70 -148.06 47.44 1.07 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.025 -1.102 . . . . 1.0 108.025 177.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.637 HD22 HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -71.49 152.8 42.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.6 -1.636 . . . . 0.34 110.787 -175.513 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 m -86.18 168.53 13.9 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.806 -0.442 . . . . 0.64 109.806 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.753 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.04 -45.03 97.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.604 -0.438 . . . . 0.19 111.372 -172.341 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' A' ' 45' ' ' MET . 40.1 mt-10 -48.62 -49.97 34.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.678 0.611 . . . . 0.82 110.382 -179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.627 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 19.2 m-20 -54.28 -44.91 72.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.551 . . . . 0.66 111.524 176.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.67 ' HD1' HD23 ' A' ' 44' ' ' LEU . 18.0 t80 -60.2 -52.96 63.08 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.318 0.58 . . . . 0.23 109.665 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.72 HD22 ' HG ' ' A' ' 19' ' ' LEU . 2.6 mt -56.19 -33.76 65.59 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.517 -1.219 . . . . 0.17 109.8 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 92.6 mtp -65.35 -57.57 8.05 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.389 0.431 . . . . 1.27 110.841 173.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 21.8 mt -47.1 -51.02 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 0.14 111.473 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.793 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -72.06 -40.19 68.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.997 -0.547 . . . . 2.08 110.675 -179.175 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.879 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -46.77 -63.48 1.01 Allowed 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 123.288 0.635 . . . . 0.47 110.774 173.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.537 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 7.0 mtt180 -55.38 -51.03 68.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.069 0.462 . . . . 0.69 110.619 -173.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.45 -53.4 54.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.811 -1.086 . . . . 0.42 111.2 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.445 ' HB2' ' NH2' ' A' ' 47' ' ' ARG . . . -63.22 -41.37 99.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.121 0.786 . . . . 0.52 113.121 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.879 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -83.63 -70.65 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.996 -0.282 . . . . 0.46 110.46 -172.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.85 33.73 0.02 OUTLIER Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.238 -0.982 . . . . 0.55 113.24 174.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.537 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -114.16 139.76 49.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.478 -0.425 . . . . 0.3 110.185 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -119.7 46.7 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.305 0.483 . . . . 1.93 112.305 -171.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 60' ' ' VAL . 12.6 t70 -75.27 134.28 41.13 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.539 -0.541 . . . . 0.93 109.539 171.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.493 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.4 p-10 -43.26 -42.94 4.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 115.819 1.785 . . . . 0.7 115.819 -170.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' C ' HD22 ' A' ' 46' ' ' LEU . 9.4 p30 -63.15 -37.9 89.04 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.554 -0.858 . . . . 2.31 109.57 -176.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -70.03 -35.33 74.24 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.067 -1.424 . . . . 0.13 111.981 175.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.2 m -76.96 -35.94 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 119.681 -0.808 . . . . 0.25 110.206 -176.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HA ' ' OG ' ' A' ' 64' ' ' SER . 32.9 mtpt -74.27 -20.08 60.27 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.252 0.548 . . . . 1.71 110.375 175.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 78.2 t80 -70.82 -52.87 17.72 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.691 -0.855 . . . . 0.18 108.691 168.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -50.35 -60.79 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.273 -0.876 . . . . 1.44 111.218 177.352 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' A' ' 61' ' ' LYS . 29.2 p -46.89 -44.67 19.85 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.679 0.622 . . . . 1.3 112.679 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.488 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 22.1 t90 -73.15 -54.92 7.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.602 0.239 . . . . 0.23 111.434 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.598 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 10.8 t-105 -70.04 -25.64 63.65 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 122.897 0.479 . . . . 0.39 111.471 -170.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.497 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 26.1 m-80 -94.53 0.3 55.16 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.061 0.458 . . . . 0.38 111.807 -174.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.3 m -92.44 -16.16 26.24 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.949 0.881 . . . . 0.85 109.306 174.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -65.83 1.15 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.211 -1.359 . . . . 1.7 110.669 -175.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.9 m -94.94 -61.07 1.55 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.761 -1.109 . . . . 0.33 112.214 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.525 ' C ' ' HG3' ' A' ' 72' ' ' MET . 34.6 mtpt 77.68 29.0 0.53 Allowed 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 114.265 -1.334 . . . . 1.2 109.787 -172.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.586 ' HB3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.366 0 CA-C-N 113.626 -1.624 . . . . 1.2 115.117 173.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.603 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.2 m-85 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.702 -0.481 . . . . 0.79 109.702 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.495 ' NE ' ' HB3' ' A' ' 41' ' ' GLU . 12.8 ttt180 -151.44 146.4 25.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 1.67 109.722 164.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.433 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 80.28 -31.78 2.34 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.147 -0.549 . . . . 1.39 114.254 173.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.603 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -79.23 47.24 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.31 0.485 . . . . 1.85 112.31 -175.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.31 29.74 75.44 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.355 -0.926 . . . . 1.05 110.903 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -50.16 127.24 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 N-CA-C 113.633 0.975 . . . . 0.43 113.633 -174.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.53 -14.59 15.24 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 113.643 -1.617 . . . . 0.35 108.748 174.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.992 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.72 176.14 0.14 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.01 -0.996 . . . . 1.14 108.923 175.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.873 ' N ' HD13 ' A' ' 19' ' ' LEU . 13.3 t -62.43 174.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 120.969 -1.082 . . . . 0.88 109.883 171.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.5 -57.16 7.91 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.527 0.566 . . . . 2.15 112.527 -168.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.43 -63.42 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.881 0.326 . . . . 2.05 111.881 -174.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.992 ' HB2' HD11 ' A' ' 19' ' ' LEU . 14.8 mm-40 -46.24 -36.63 6.31 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.325 1.231 . . . . 2.01 114.325 -171.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.78 ' CE2' HG21 ' A' ' 40' ' ' VAL . 25.1 t80 -64.55 -53.56 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.795 0.807 . . . . 0.22 109.274 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -59.13 -39.09 81.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.845 -1.07 . . . . 1.8 110.559 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.543 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 12.1 mm-40 -71.17 -19.08 62.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.502 -0.772 . . . . 1.27 111.519 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.1 t90 -66.2 -36.62 83.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.741 -0.466 . . . . 0.16 109.741 172.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.76 -40.64 80.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.474 -0.785 . . . . 2.63 109.423 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.24 -41.11 70.57 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.984 -0.553 . . . . 0.97 110.767 174.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -50.09 -42.02 49.38 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.483 -0.326 . . . . 0.14 110.297 174.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.638 ' OD1' ' HA ' ' A' ' 37' ' ' ASP . 9.5 t30 -55.75 -47.83 76.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.557 -0.747 . . . . 1.78 110.547 176.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.49 -59.67 3.19 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.225 -0.898 . . . . 0.19 111.824 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.5 t -60.49 -35.41 75.84 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.243 0.831 . . . . 0.27 113.243 -171.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.526 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 25.3 mmm180 -94.0 3.98 54.57 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.418 -0.513 . . . . 1.04 111.717 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 56.75 30.78 18.26 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.813 -0.63 . . . . 1.27 111.728 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.654 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -110.53 -168.48 1.32 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.644 -0.707 . . . . 0.36 109.454 176.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.638 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 14.5 t70 -145.74 59.0 1.25 Allowed 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.868 -1.16 . . . . 1.0 107.868 177.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.654 HD22 HD13 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -87.96 150.39 23.48 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.297 -1.32 . . . . 0.34 110.035 -173.514 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.9 m -86.34 168.66 13.65 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.863 -0.335 . . . . 0.64 110.129 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.78 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.34 -44.45 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 C-N-CA 120.963 -0.295 . . . . 0.19 110.944 -173.308 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.495 ' HB3' ' NE ' ' A' ' 13' ' ' ARG . 48.1 mt-10 -46.93 -53.11 12.98 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 123.888 0.742 . . . . 0.82 110.83 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.562 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 5.1 m-20 -52.75 -47.29 67.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.596 -0.729 . . . . 0.66 111.379 176.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.721 ' HD1' HD23 ' A' ' 44' ' ' LEU . 13.0 t80 -58.25 -54.36 47.88 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.209 0.528 . . . . 0.23 109.974 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.794 HD22 ' HG ' ' A' ' 19' ' ' LEU . 3.1 mt -53.16 -35.57 59.91 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 114.534 -1.212 . . . . 0.17 109.96 -176.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.565 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 68.6 mtm -68.22 -52.89 29.09 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.422 0.451 . . . . 1.27 110.75 175.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 29.3 mt -48.41 -54.2 14.9 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.301 -0.409 . . . . 0.14 111.503 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.605 HH11 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -66.01 -43.13 88.59 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 116.224 -0.444 . . . . 2.08 110.462 -179.455 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.851 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.4 m170 -45.3 -62.7 1.16 Allowed 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.757 -0.656 . . . . 0.47 111.191 173.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 45' ' ' MET . 2.3 mtt180 -58.86 -45.98 88.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.161 0.505 . . . . 0.69 110.888 -174.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.28 -56.84 16.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.05 -0.977 . . . . 0.42 111.044 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.16 78.91 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.51 0.559 . . . . 0.52 112.51 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.851 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.3 mt -77.83 -71.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.053 -0.259 . . . . 0.46 110.508 -171.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.5 46.65 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.049 -1.072 . . . . 0.55 113.283 174.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.516 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -124.14 141.17 52.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.733 -0.469 . . . . 0.3 109.733 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -116.78 43.34 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.516 0.562 . . . . 1.93 112.516 -171.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -66.58 127.46 32.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.976 -0.75 . . . . 0.93 108.976 169.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.593 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.4 p-10 -47.62 -34.89 8.51 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 115.412 1.634 . . . . 0.7 115.412 -170.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.69 -41.56 98.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 119.146 0.884 . . . . 2.31 108.93 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.03 75.71 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.996 -1.456 . . . . 0.13 111.99 176.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.593 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.1 m -75.48 -36.46 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 119.642 -0.823 . . . . 0.25 110.14 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HA ' ' OG ' ' A' ' 64' ' ' SER . 17.0 mtpp -72.67 -23.46 60.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 116.08 -0.509 . . . . 1.71 110.608 175.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.442 ' HB2' HD13 ' A' ' 46' ' ' LEU . 84.6 t80 -67.6 -55.4 13.53 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.421 -0.955 . . . . 0.18 108.421 169.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.65 -60.99 2.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.838 -1.074 . . . . 1.44 111.851 177.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.42 ' OG ' ' HA ' ' A' ' 61' ' ' LYS . 15.6 p -45.92 -47.4 16.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.75 0.648 . . . . 1.3 112.75 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.601 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.6 t90 -73.19 -50.2 23.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.457 -0.338 . . . . 0.23 111.556 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.543 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 11.3 t-105 -73.61 -25.82 60.5 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.589 0.356 . . . . 0.39 111.588 -172.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 20.2 m-80 -92.12 -1.79 56.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.921 0.391 . . . . 0.38 111.566 -176.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -94.54 -15.55 24.03 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 121.62 0.724 . . . . 0.85 109.265 174.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.1 ptp180 -114.25 -59.93 1.95 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.081 -0.963 . . . . 1.7 111.158 -174.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.483 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 10.7 m -105.04 -59.26 1.77 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.557 -1.201 . . . . 0.33 112.019 -172.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.533 ' C ' ' HG3' ' A' ' 72' ' ' MET . 49.2 mtpt 75.72 26.4 1.08 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 114.519 -1.219 . . . . 1.2 109.642 -173.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.533 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.393 0 CA-C-N 113.418 -1.719 . . . . 1.2 115.057 172.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.591 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 114.504 1.298 . . . . 0.79 114.504 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HG2' ' N ' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -167.76 141.89 3.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.088 -1.414 . . . . 1.67 109.329 163.507 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.506 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 79.81 -28.7 2.45 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 120.973 -0.632 . . . . 1.39 114.055 173.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.565 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -77.89 47.14 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.143 0.497 . . . . 1.85 111.944 -177.368 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.44 31.63 77.25 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.694 -0.963 . . . . 1.05 110.694 -175.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.591 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -53.1 128.91 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 CA-C-O 122.176 0.988 . . . . 0.43 113.104 -176.806 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.89 -11.27 14.69 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 113.342 -1.753 . . . . 0.35 108.672 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.866 HD13 ' N ' ' A' ' 20' ' ' THR . 3.5 tm? 61.29 171.34 0.11 Allowed 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.736 -1.12 . . . . 1.14 109.143 175.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.866 ' N ' HD13 ' A' ' 19' ' ' LEU . 9.0 t -64.05 178.29 0.68 Allowed 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.762 -1.211 . . . . 0.88 110.386 172.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.51 -57.3 7.61 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.95 0.722 . . . . 2.15 112.95 -168.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.58 -60.18 2.41 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 111.81 0.3 . . . . 2.05 111.81 -171.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.797 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -45.61 -39.58 7.87 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.208 1.188 . . . . 2.01 114.208 -175.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.754 ' CE2' HG21 ' A' ' 40' ' ' VAL . 35.7 t80 -66.89 -56.06 11.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.356 0.526 . . . . 0.22 110.203 -177.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -52.74 -38.92 61.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.603 0.716 . . . . 1.8 110.888 171.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.646 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 10.1 mm-40 -74.97 -20.82 59.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.838 -0.619 . . . . 1.27 111.938 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.645 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.72 -35.68 81.84 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.488 -0.56 . . . . 0.16 109.488 173.437 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 17.6 mtm180 -60.84 -40.41 92.76 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.328 -0.851 . . . . 2.63 108.73 176.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.37 -37.29 74.55 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.185 -0.461 . . . . 0.97 110.906 174.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 16.1 t-160 -51.24 -41.15 60.14 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.286 -0.265 . . . . 0.14 110.286 174.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.532 ' HA ' HD12 ' A' ' 36' ' ' LEU . 30.8 m-80 -55.5 -50.17 70.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.164 0.507 . . . . 1.78 110.299 175.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.88 -60.57 2.91 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.394 -0.821 . . . . 0.19 111.903 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -61.22 -37.86 84.56 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.88 0.696 . . . . 0.27 112.88 -171.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -93.26 0.5 57.05 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.39 -0.524 . . . . 1.04 111.614 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 59.79 27.96 17.35 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.373 0.606 . . . . 1.27 111.926 171.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.71 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -108.09 -170.45 1.69 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.455 -0.793 . . . . 0.36 109.649 176.184 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -141.64 49.15 1.61 Allowed 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 107.919 -1.141 . . . . 1.0 107.919 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.71 HD22 HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -80.17 149.62 30.45 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 113.976 -1.465 . . . . 0.34 110.513 -173.023 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 m -84.89 168.57 14.92 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.333 -0.618 . . . . 0.64 109.333 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.754 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.48 -44.33 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 C-N-CA 120.589 -0.444 . . . . 0.19 110.515 -175.154 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 44.9 mt-10 -49.06 -49.71 40.1 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 123.644 0.59 . . . . 0.82 110.8 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.557 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 39.2 m-20 -54.55 -44.83 73.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.49 . . . . 0.66 110.982 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.587 ' HD1' HD23 ' A' ' 44' ' ' LEU . 4.3 t80 -60.12 -54.25 48.11 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.192 0.52 . . . . 0.23 109.699 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.683 HD21 HG22 ' A' ' 40' ' ' VAL . 3.1 mt -55.1 -30.8 60.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.618 -1.174 . . . . 0.17 110.214 -175.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.552 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 73.3 mtm -71.4 -56.64 5.57 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.643 0.589 . . . . 1.27 111.713 173.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 22.8 mt -48.56 -52.5 22.44 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.438 0.637 . . . . 0.14 110.398 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -56.34 -56.84 16.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.709 -1.132 . . . . 2.08 110.594 175.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.866 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.06 -62.34 0.65 Allowed 'General case' 0 C--O 1.212 -0.876 0 O-C-N 124.349 1.031 . . . . 0.47 111.954 175.684 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 45' ' ' MET . 24.4 mtt-85 -59.83 -39.86 86.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.971 0.415 . . . . 0.69 110.973 -172.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.45 -53.76 50.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.525 -0.761 . . . . 0.42 110.866 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.74 -49.31 77.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.044 0.757 . . . . 0.52 113.044 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.866 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 11.6 mt -80.23 -70.23 0.54 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.493 -0.321 . . . . 0.46 110.741 -170.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.7 35.87 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 119.817 -1.182 . . . . 0.55 113.755 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -115.66 144.67 43.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.293 0.547 . . . . 0.3 110.247 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -118.91 47.9 1.57 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.245 -0.434 . . . . 1.93 112.162 -173.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.49 126.46 29.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.813 -0.81 . . . . 0.93 108.813 167.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.614 ' O ' HG22 ' A' ' 60' ' ' VAL . 4.5 p-10 -41.03 -45.03 2.55 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 115.264 1.579 . . . . 0.7 115.264 -172.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' C ' HD22 ' A' ' 46' ' ' LEU . 17.0 m-20 -64.24 -34.84 79.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 119.267 0.94 . . . . 2.31 109.869 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -69.11 -35.81 76.84 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.483 -1.235 . . . . 0.13 111.324 174.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.7 m -74.38 -36.45 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 119.947 -0.701 . . . . 0.25 109.997 -177.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -67.27 -36.15 80.98 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.997 -0.547 . . . . 1.71 110.17 175.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.523 ' HB2' HD13 ' A' ' 46' ' ' LEU . 74.7 t80 -60.78 -54.75 41.37 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.958 -0.756 . . . . 0.18 108.958 173.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.598 ' HA ' HD22 ' A' ' 67' ' ' ASN . 0.6 OUTLIER -51.01 -60.29 3.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.25 -0.886 . . . . 1.44 111.145 176.54 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.8 m -43.21 -43.89 4.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.875 0.695 . . . . 1.3 112.875 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.552 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.6 t90 -81.33 -48.52 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.029 0.442 . . . . 0.23 111.704 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.646 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 40.3 t-105 -77.53 -23.34 50.18 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.149 -0.478 . . . . 0.39 111.925 -171.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.598 HD22 ' HA ' ' A' ' 63' ' ' ARG . 17.9 m-80 -95.22 -0.32 53.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.119 0.485 . . . . 0.38 111.29 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.0 m -93.32 -14.99 26.25 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.646 0.736 . . . . 0.85 109.147 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.7 ptp180 -114.08 -61.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.015 -0.993 . . . . 1.7 110.864 -175.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.534 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 24.2 m -100.75 -59.69 1.66 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.756 -1.111 . . . . 0.33 111.925 -174.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.604 ' C ' ' HG3' ' A' ' 72' ' ' MET . 40.8 mtpt 76.73 17.86 1.73 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 114.302 -1.317 . . . . 1.2 110.191 -172.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.604 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.501 0 CA-C-N 113.813 -1.539 . . . . 1.2 114.979 171.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.55 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-85 . . . . . 0 CA--C 1.517 -0.314 0 N-CA-C 110.154 -0.313 . . . . 0.79 110.154 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 26.2 ttp85 -160.12 146.27 15.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.623 -0.717 . . . . 1.67 109.798 170.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.27 45.68 93.86 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.002 -0.618 . . . . 1.39 112.907 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.55 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -153.92 40.29 0.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.572 0.701 . . . . 1.85 110.489 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.75 27.47 70.79 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.419 -0.896 . . . . 1.05 110.927 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.452 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -56.79 128.54 17.35 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.837 0 CA-C-O 122.146 0.974 . . . . 0.43 112.865 -177.113 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.81 -8.24 14.93 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 113.343 -1.753 . . . . 0.35 108.424 173.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.864 HD13 ' N ' ' A' ' 20' ' ' THR . 3.4 tm? 59.95 173.46 0.09 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 114.64 -1.163 . . . . 1.14 109.215 175.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.864 ' N ' HD13 ' A' ' 19' ' ' LEU . 15.3 t -61.33 172.95 0.98 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.78 -1.2 . . . . 0.88 109.941 172.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.71 -57.19 7.63 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.237 0.828 . . . . 2.15 113.237 -168.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.39 -62.79 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.093 0.473 . . . . 2.05 111.697 -174.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.709 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -45.49 -40.93 9.03 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.768 1.396 . . . . 2.01 114.768 -175.349 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.812 ' CE2' HG21 ' A' ' 40' ' ' VAL . 36.5 t80 -65.29 -58.14 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.663 0.665 . . . . 0.22 110.507 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.05 -49.01 52.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.429 0.633 . . . . 1.8 111.232 172.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.56 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 42.3 mt-10 -71.15 -15.99 62.52 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.62 -0.718 . . . . 1.27 112.202 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.641 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -62.87 -38.03 89.26 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.575 -0.528 . . . . 0.16 109.575 168.686 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 68.6 mtm180 -60.98 -35.11 75.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.769 -0.65 . . . . 2.63 109.427 177.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -74.62 -36.64 62.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.763 -0.653 . . . . 0.97 110.508 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.7 t-160 -53.54 -40.3 65.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.14 110.196 173.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.602 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 10.9 m120 -53.26 -52.68 58.23 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.071 0.463 . . . . 1.78 110.444 173.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.2 -60.56 3.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.2 -0.909 . . . . 0.19 112.087 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.414 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 23.8 t -64.96 -26.89 68.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.306 0.854 . . . . 0.27 113.306 -169.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -99.99 1.64 42.74 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.268 -0.573 . . . . 1.04 112.245 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.563 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 54.47 58.4 4.95 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.444 -0.798 . . . . 1.27 110.759 177.172 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.656 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -145.26 -179.33 6.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.153 -0.931 . . . . 0.36 108.524 -177.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -137.51 46.1 2.15 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.841 -1.17 . . . . 1.0 107.841 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.656 HD22 HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -75.54 148.32 39.0 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 113.778 -1.555 . . . . 0.34 110.129 -176.161 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -87.98 170.84 10.78 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.473 -0.566 . . . . 0.64 109.473 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.812 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.03 -42.78 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 120.634 -0.426 . . . . 0.19 110.824 -172.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 45' ' ' MET . 32.1 mt-10 -48.46 -50.54 30.97 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.765 0.666 . . . . 0.82 110.776 -178.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.503 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.9 m-20 -55.07 -46.65 75.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.66 111.953 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.647 ' HD1' HD23 ' A' ' 44' ' ' LEU . 4.9 t80 -57.58 -53.39 58.72 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.42 0.629 . . . . 0.23 109.917 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.792 HD21 HG22 ' A' ' 40' ' ' VAL . 3.3 mt -52.03 -35.18 46.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.157 -1.383 . . . . 0.17 109.961 -176.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.535 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 53.1 mtm -65.85 -57.27 8.3 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.827 0.705 . . . . 1.27 110.819 175.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 20.2 mt -48.0 -56.02 8.67 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.724 -0.671 . . . . 0.14 111.113 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.619 ' NE ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -61.74 -50.14 73.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.158 -0.928 . . . . 2.08 110.94 -179.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.865 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 7.0 m170 -40.08 -61.0 0.94 Allowed 'General case' 0 C--O 1.216 -0.666 0 O-C-N 123.759 0.662 . . . . 0.47 111.134 173.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 45' ' ' MET . 17.3 mtt180 -58.63 -43.25 89.65 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.911 0.386 . . . . 0.69 110.888 -172.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.23 -55.85 28.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.658 -0.701 . . . . 0.42 111.121 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.91 71.48 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.085 0.554 . . . . 0.52 112.279 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.865 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.6 mt -80.0 -71.15 0.47 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.209 -0.45 . . . . 0.46 110.894 -171.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.27 47.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.632 -0.794 . . . . 0.55 112.388 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.514 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -129.11 146.44 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.667 -0.314 . . . . 0.3 110.2 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -123.77 48.29 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.795 0.665 . . . . 1.93 112.795 -171.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.16 130.43 43.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.318 -0.623 . . . . 0.93 109.318 167.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.668 ' O ' HG22 ' A' ' 60' ' ' VAL . 4.1 p-10 -44.26 -43.51 7.35 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 115.227 1.566 . . . . 0.7 115.227 -171.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 46' ' ' LEU . 34.9 m-20 -65.85 -35.32 80.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 119.343 0.974 . . . . 2.31 109.318 -177.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.0 -34.84 78.64 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.316 -1.311 . . . . 0.13 111.327 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.9 m -75.23 -39.04 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 C-N-CA 120.068 -0.653 . . . . 0.25 110.2 -177.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -64.2 -36.99 85.86 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.995 -0.548 . . . . 1.71 109.832 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.458 ' HB2' HD13 ' A' ' 46' ' ' LEU . 73.5 t80 -61.0 -56.45 20.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.162 -0.926 . . . . 0.18 109.177 174.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -49.44 -61.5 2.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.132 -0.94 . . . . 1.44 111.428 177.387 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.457 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 62.9 m -49.84 -47.86 51.37 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.841 0.682 . . . . 1.3 112.841 -177.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.499 ' CE3' ' HB2' ' A' ' 66' ' ' TRP . 7.5 t90 -68.84 -50.92 45.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.968 0.413 . . . . 0.23 111.414 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.56 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 20.6 t-105 -73.59 -24.46 60.07 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.117 -0.492 . . . . 0.39 112.07 -172.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 14.6 m-80 -92.26 -0.94 57.38 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 120.99 0.424 . . . . 0.38 111.611 -175.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.6 m -94.63 -16.11 23.45 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.635 0.731 . . . . 0.85 109.162 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 8.0 ptp180 -113.91 -63.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.953 -1.022 . . . . 1.7 111.322 -173.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.449 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 44.6 m -100.95 -56.59 2.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.164 -0.926 . . . . 0.33 111.596 -175.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.597 ' C ' ' HG3' ' A' ' 72' ' ' MET . 47.4 mtpt 74.41 22.61 2.12 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.226 -1.352 . . . . 1.2 110.239 -172.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.597 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.651 0 CA-C-N 114.014 -1.448 . . . . 1.2 114.824 172.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.611 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.7 m-85 . . . . . 0 CA--C 1.515 -0.375 0 CA-C-O 120.817 0.342 . . . . 0.79 110.103 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 25.4 ttp180 -161.06 146.62 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.46 -0.791 . . . . 1.67 109.569 168.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 67.18 34.82 87.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.482 -0.866 . . . . 1.39 112.695 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.611 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -145.19 37.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.189 0.518 . . . . 1.85 110.98 179.462 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.32 28.16 71.74 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.394 -0.907 . . . . 1.05 110.87 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.464 HG21 HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -52.39 132.6 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 CA-C-O 121.922 0.868 . . . . 0.43 112.713 -178.462 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.97 -7.06 14.57 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 113.905 -1.498 . . . . 0.35 108.963 175.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.869 HD22 HD22 ' A' ' 44' ' ' LEU . 64.0 tp 57.49 -172.95 0.08 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 114.76 -1.109 . . . . 1.14 109.988 177.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.586 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -78.21 161.13 27.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.66 -0.867 . . . . 0.88 108.66 170.697 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -58.52 -57.06 14.6 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.897 0.703 . . . . 2.15 112.897 -166.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -64.99 -57.79 7.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.613 -0.267 . . . . 2.05 111.232 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.61 ' HB3' HD21 ' A' ' 19' ' ' LEU . 5.2 mp0 -46.87 -42.9 18.2 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.925 0.713 . . . . 2.01 112.925 -177.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.931 ' CE2' HG21 ' A' ' 40' ' ' VAL . 25.9 t80 -65.68 -53.44 41.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.311 0.577 . . . . 0.22 110.082 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -52.08 -44.99 64.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.788 -0.642 . . . . 1.8 110.859 171.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.484 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 10.4 mm-40 -68.65 -19.83 64.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.865 -0.607 . . . . 1.27 111.836 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -63.73 -38.15 90.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.751 -0.463 . . . . 0.16 109.751 172.676 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -63.38 -33.54 75.77 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.434 -0.803 . . . . 2.63 109.614 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.8 -40.57 63.29 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.265 -0.425 . . . . 0.97 110.465 173.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.429 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 9.9 t-160 -50.44 -43.69 55.19 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.254 -0.43 . . . . 0.14 111.114 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.495 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 7.0 t30 -58.5 -45.48 88.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.17 0.509 . . . . 1.78 109.901 177.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.26 -61.04 2.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.297 -0.865 . . . . 0.19 112.181 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -57.93 -45.47 86.52 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.644 0.609 . . . . 0.27 112.644 -172.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.535 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 22.5 mmm180 -84.1 -3.38 58.04 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.698 -0.401 . . . . 1.04 111.523 -176.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 58.59 32.72 22.46 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.684 -0.689 . . . . 1.27 111.504 173.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.634 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.99 -167.15 1.16 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.88 -0.6 . . . . 0.36 109.86 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -141.21 107.34 5.21 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.69 -0.855 . . . . 1.0 108.69 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.634 HD22 HD13 ' A' ' 36' ' ' LEU . 1.8 pt? -141.79 159.1 42.91 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.537 0.684 . . . . 0.34 111.204 -178.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -93.95 178.05 5.78 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.605 -1.179 . . . . 0.64 108.53 172.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.931 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -69.12 -41.12 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 C-N-CA 119.825 -0.75 . . . . 0.19 110.412 -173.583 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.507 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 25.0 mt-10 -49.28 -48.11 46.27 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.68 0.612 . . . . 0.82 110.35 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 5.4 m-20 -56.4 -43.59 79.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.463 -0.789 . . . . 0.66 111.59 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.541 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 27.3 t80 -60.67 -51.63 68.58 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.451 0.643 . . . . 0.23 109.78 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.869 HD22 HD22 ' A' ' 19' ' ' LEU . 2.0 mt -56.57 -32.31 65.06 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 114.191 -1.368 . . . . 0.17 109.931 -173.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.628 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 69.3 mtm -65.21 -58.58 5.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.842 0.714 . . . . 1.27 111.016 175.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 62' ' ' PHE . 16.1 mt -50.52 -54.0 25.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.982 -0.554 . . . . 0.14 111.084 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 47' ' ' ARG . 6.1 ttt180 -58.08 -54.39 47.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.284 -0.871 . . . . 2.08 110.823 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.895 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -41.92 -63.07 0.79 Allowed 'General case' 0 C--O 1.216 -0.699 0 O-C-N 123.828 0.705 . . . . 0.47 111.474 175.497 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' A' ' 45' ' ' MET . 21.1 mtt-85 -57.0 -46.48 82.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.763 0.316 . . . . 0.69 110.712 -171.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.36 -54.23 49.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.504 -0.771 . . . . 0.42 111.066 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.08 78.81 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.679 0.622 . . . . 0.52 112.679 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.895 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 17.8 mt -82.69 -72.62 0.44 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.363 -0.381 . . . . 0.46 110.244 -175.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.08 13.47 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.491 -0.862 . . . . 0.55 113.013 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -90.39 135.78 33.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.928 0.394 . . . . 0.3 111.275 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -112.07 45.62 1.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.492 0.553 . . . . 1.93 112.492 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.69 ' O ' HG13 ' A' ' 60' ' ' VAL . 9.5 t70 -61.0 158.29 13.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.104 -1.073 . . . . 0.93 108.104 166.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.498 ' HA ' HG22 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -79.4 -39.46 32.44 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 117.56 -1.656 . . . . 0.7 111.199 -164.347 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.446 ' C ' HD22 ' A' ' 46' ' ' LEU . 9.4 m-20 -62.86 -30.27 71.38 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.826 -0.805 . . . . 2.31 108.826 -178.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.2 -40.31 62.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.498 -1.228 . . . . 0.13 111.626 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 56' ' ' ASP . 7.7 m -73.59 -33.91 40.38 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.204 0 C-N-CA 119.992 -0.683 . . . . 0.25 110.195 -178.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -71.58 -33.82 69.39 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.137 -0.483 . . . . 1.71 110.121 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.477 ' HB2' HD13 ' A' ' 46' ' ' LEU . 76.1 t80 -60.06 -54.9 40.47 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.06 -0.719 . . . . 0.18 109.06 171.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.545 ' HA ' HD22 ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.65 -59.1 4.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.748 -1.115 . . . . 1.44 110.778 175.922 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 t -40.87 -51.26 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.008 0.817 . . . . 1.3 112.156 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.535 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 7.7 t90 -76.67 -51.1 12.14 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.831 0.308 . . . . 0.23 111.831 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.621 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 32.4 t-105 -73.8 -23.02 59.63 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.374 0.27 . . . . 0.39 111.72 -169.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.545 HD22 ' HA ' ' A' ' 63' ' ' ARG . 11.4 m-80 -92.03 -3.31 55.96 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.272 0.558 . . . . 0.38 110.685 -174.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 m -92.49 -17.09 24.98 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 121.483 0.659 . . . . 0.85 109.846 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.48 -64.04 1.36 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.84 -1.073 . . . . 1.7 111.212 -175.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.8 m -103.58 -57.66 2.0 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.897 -1.047 . . . . 0.33 112.644 -172.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.553 ' C ' ' HG3' ' A' ' 72' ' ' MET . 49.1 mtpt 75.94 21.98 1.51 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 114.756 -1.111 . . . . 1.2 110.588 -176.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.621 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.315 0 CA-C-N 114.629 -1.169 . . . . 1.2 113.452 176.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.586 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.3 m-85 . . . . . 0 CA--C 1.514 -0.419 0 CA-C-O 121.192 0.52 . . . . 0.79 110.79 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 14' ' ' GLY . 32.3 ttp180 -168.13 158.53 10.31 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.819 -1.082 . . . . 1.67 108.816 171.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 67.8 21.07 72.9 Favored Glycine 0 N--CA 1.454 -0.112 0 C-N-CA 120.514 -0.85 . . . . 1.39 112.142 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.586 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -139.99 -166.57 2.12 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.921 -0.77 . . . . 1.85 108.921 178.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.35 57.29 1.57 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.455 -0.879 . . . . 1.05 111.168 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.418 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -72.08 125.36 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-O 122.211 1.005 . . . . 0.43 112.706 -178.531 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.01 -3.41 20.1 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 113.264 -1.789 . . . . 0.35 108.145 172.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.767 HD22 HD22 ' A' ' 44' ' ' LEU . 52.4 tp 55.28 -99.86 0.1 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 113.912 -1.494 . . . . 1.14 110.987 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.593 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 41.4 p -128.44 -176.04 3.7 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.459 -0.791 . . . . 0.88 109.531 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -79.56 -39.23 32.32 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 119.678 -0.809 . . . . 2.15 109.185 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -86.97 -62.95 1.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.594 -0.73 . . . . 2.05 112.414 -171.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HG2' ' NH1' ' A' ' 47' ' ' ARG . 30.1 mp0 -58.9 -37.47 76.68 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 112.89 0.7 . . . . 2.01 112.89 -173.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.783 ' CE2' HG21 ' A' ' 40' ' ' VAL . 40.2 t80 -60.18 -57.35 13.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.59 -0.522 . . . . 0.22 109.59 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -45.47 -46.24 13.54 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.301 0.572 . . . . 1.8 111.695 167.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.549 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.8 mm-40 -73.19 -18.72 61.23 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.296 0.48 . . . . 1.27 112.296 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.592 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.9 t90 -62.34 -39.19 92.29 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 109.231 -0.655 . . . . 0.16 109.231 171.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 44.4 mtm180 -61.41 -37.16 82.48 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.008 -0.996 . . . . 2.63 109.835 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.06 -33.16 63.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.318 -0.401 . . . . 0.97 110.341 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.474 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 12.9 t-160 -56.66 -36.18 69.25 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.788 -0.449 . . . . 0.14 109.788 173.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.557 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 14.4 m120 -56.99 -50.6 72.18 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.601 0.563 . . . . 1.78 110.031 175.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.12 -60.52 2.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.218 -0.901 . . . . 0.19 112.214 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 t -62.6 -42.32 99.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.47 0.545 . . . . 0.27 112.47 -169.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -87.15 4.14 43.53 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.575 -0.45 . . . . 1.04 112.102 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 54.14 55.79 7.81 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 114.975 -1.011 . . . . 1.27 111.605 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.673 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -143.14 -178.33 5.79 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.647 -0.872 . . . . 0.36 108.647 -177.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' HA ' HD22 ' A' ' 31' ' ' ASN . 26.8 t0 -136.58 36.54 2.68 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.781 -1.192 . . . . 1.0 107.781 -176.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.673 HD22 HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -62.52 145.63 53.77 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 113.745 -1.57 . . . . 0.34 110.518 -176.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.8 m -81.83 177.45 8.87 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.007 -0.542 . . . . 0.64 109.949 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.783 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -71.25 -44.77 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 C-N-CA 120.106 -0.637 . . . . 0.19 110.836 -172.613 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' A' ' 45' ' ' MET . 46.3 mt-10 -49.21 -46.93 46.46 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 123.404 0.44 . . . . 0.82 110.381 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.5 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.3 m-20 -55.17 -45.2 75.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.958 -0.564 . . . . 0.66 111.889 176.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.516 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 13.5 t80 -58.12 -50.6 72.94 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.558 0.694 . . . . 0.23 109.412 176.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.767 HD22 HD22 ' A' ' 19' ' ' LEU . 2.5 mt -60.4 -27.25 67.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.308 -1.315 . . . . 0.17 109.842 -174.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 30.0 mtm -66.81 -59.46 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 1.27 110.112 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 62' ' ' PHE . 13.8 mt -52.04 -49.57 63.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.011 -0.995 . . . . 0.14 111.216 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.553 ' CD ' HD11 ' A' ' 19' ' ' LEU . 7.1 ttt85 -60.94 -60.33 3.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.056 -0.974 . . . . 2.08 110.933 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.911 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 9.8 m170 -42.71 -57.51 2.71 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 123.953 0.783 . . . . 0.47 111.315 177.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.537 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 21.9 mtt-85 -56.89 -50.4 72.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.603 -0.439 . . . . 0.69 110.735 -171.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.34 -53.08 62.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.53 -0.759 . . . . 0.42 111.262 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.27 -36.02 72.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 112.773 0.657 . . . . 0.52 112.773 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.911 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 16.4 mt -88.0 -74.45 0.45 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 121.079 -0.248 . . . . 0.46 110.671 -174.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.87 35.9 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.867 -0.682 . . . . 0.55 112.427 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.537 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -117.11 133.44 56.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 0.3 110.324 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -114.24 47.71 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.239 0.542 . . . . 1.93 111.378 -173.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 12.0 t70 -66.71 123.16 19.34 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.193 -1.04 . . . . 0.93 108.193 168.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -45.54 -36.74 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.922 1.453 . . . . 0.7 114.922 -169.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.427 ' C ' HD22 ' A' ' 46' ' ' LEU . 10.5 m-20 -64.2 -40.54 96.29 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.625 -0.88 . . . . 2.31 108.625 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.98 81.15 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.134 -1.394 . . . . 0.13 111.634 176.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 m -76.3 -35.66 27.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.291 0 C-N-CA 119.745 -0.782 . . . . 0.25 110.118 -176.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -72.84 -30.34 63.94 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 110.149 -0.315 . . . . 1.71 110.149 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' HB2' HD13 ' A' ' 46' ' ' LEU . 82.5 t80 -59.03 -55.81 30.37 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.562 -0.903 . . . . 0.18 108.562 168.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.579 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.1 tmt_? -49.13 -59.74 3.39 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.314 -0.857 . . . . 1.44 111.753 174.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.579 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 13.8 t -45.44 -50.55 12.45 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 123.555 0.534 . . . . 1.3 111.994 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.471 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 9.6 t90 -72.74 -51.98 16.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.53 -0.305 . . . . 0.23 111.506 -178.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.631 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 33.8 t-105 -71.6 -29.27 64.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.361 -0.381 . . . . 0.39 111.655 -171.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.574 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 14.2 m-80 -85.27 -0.06 53.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.218 0.532 . . . . 0.38 111.292 -176.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.4 m -93.04 -15.73 25.81 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.691 0.758 . . . . 0.85 109.142 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -115.34 -66.18 1.11 Allowed 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.624 -1.171 . . . . 1.7 110.797 -173.082 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 24.0 m -105.82 -55.99 2.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.638 -1.164 . . . . 0.33 112.377 -172.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.622 ' C ' ' HG3' ' A' ' 72' ' ' MET . 57.1 mtpt 77.67 11.14 2.14 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 114.747 -1.115 . . . . 1.2 111.468 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.631 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.548 0 O-C-N 124.45 1.094 . . . . 1.2 113.124 176.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.906 0 N-CA-C 111.702 -0.559 . . . . 1.46 111.702 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.654 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -70.7 -111.62 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.677 0.621 . . . . 1.21 112.677 179.336 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.626 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 15.2 m-85 -162.32 -161.7 0.76 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.063 -1.088 . . . . 0.79 108.063 -167.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.554 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 13.7 ttp180 -163.34 144.2 9.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.499 0.499 . . . . 1.67 110.329 165.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.4 -32.39 2.58 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.087 -0.578 . . . . 1.39 113.627 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.626 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -80.21 44.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.483 0.549 . . . . 1.85 112.483 -175.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.05 28.1 73.49 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.245 -0.979 . . . . 1.05 111.058 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.608 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -46.79 130.47 3.3 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.688 0 N-CA-C 113.674 0.99 . . . . 0.43 113.674 -175.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.54 -19.03 13.8 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 113.702 -1.59 . . . . 0.35 109.409 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.992 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 63.33 171.02 0.16 Allowed 'General case' 0 CA--C 1.545 0.766 0 O-C-N 123.964 0.79 . . . . 1.14 109.492 173.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.853 ' N ' HD13 ' A' ' 19' ' ' LEU . 5.1 t -60.22 162.84 5.51 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.094 -1.004 . . . . 0.88 110.398 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.28 -50.6 72.99 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.282 0.475 . . . . 2.15 112.282 -167.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.78 -64.55 0.86 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.413 -0.358 . . . . 2.05 111.766 -174.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.992 ' HB2' HD11 ' A' ' 19' ' ' LEU . 26.2 mm-40 -46.95 -36.58 7.83 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.475 1.287 . . . . 2.01 114.475 -173.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.701 ' CE2' HG21 ' A' ' 40' ' ' VAL . 39.1 t80 -65.16 -54.11 34.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.323 -0.621 . . . . 0.22 109.323 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -42.78 70.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.563 -0.744 . . . . 1.8 111.111 170.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.55 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 17.7 mm-40 -70.52 -18.79 62.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.998 -0.547 . . . . 1.27 111.374 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -67.03 -36.85 83.02 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.054 0.454 . . . . 0.16 109.83 174.195 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -62.47 -31.23 71.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.456 -0.793 . . . . 2.63 109.225 175.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.06 -41.64 58.56 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.643 -0.708 . . . . 0.97 110.541 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.421 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 10.7 t-160 -51.54 -43.26 62.28 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.344 -0.389 . . . . 0.14 110.263 173.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.608 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 5.2 t30 -55.51 -48.03 75.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.698 -0.683 . . . . 1.78 110.152 177.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.31 -59.63 3.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.002 -0.999 . . . . 0.19 112.004 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.406 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 37.2 t -61.0 -43.91 98.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.679 0.622 . . . . 0.27 112.679 -172.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -84.75 3.9 35.31 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.667 -0.413 . . . . 1.04 111.686 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp 60.24 26.62 16.09 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.784 -0.643 . . . . 1.27 111.487 170.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.734 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.54 -170.82 1.72 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.562 -0.744 . . . . 0.36 109.95 178.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.469 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 27.2 t70 -143.15 66.26 1.32 Allowed 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.298 -1.371 . . . . 1.0 107.298 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.734 HD22 HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -98.55 151.21 20.89 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.414 -1.266 . . . . 0.34 110.425 -169.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -85.24 166.84 16.19 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.097 -0.501 . . . . 0.64 109.771 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.77 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -64.26 -42.86 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 120.796 -0.362 . . . . 0.19 110.627 -173.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.638 ' O ' ' HG3' ' A' ' 45' ' ' MET . 37.4 mt-10 -45.89 -53.72 9.37 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 123.951 0.782 . . . . 0.82 110.696 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 10.5 m-20 -54.04 -45.64 71.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.808 -0.633 . . . . 0.66 111.562 177.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.727 ' HD1' HD23 ' A' ' 44' ' ' LEU . 17.3 t80 -58.92 -53.68 55.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.216 0.531 . . . . 0.23 109.882 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.77 HD21 HG22 ' A' ' 40' ' ' VAL . 2.6 mt -53.9 -35.24 61.4 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 114.605 -1.18 . . . . 0.17 109.947 -177.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.638 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 83.3 mtp -64.6 -57.8 8.09 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.592 0.557 . . . . 1.27 110.607 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 29.5 mt -47.0 -51.49 17.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.421 -0.808 . . . . 0.14 111.435 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.57 HH22 ' HA ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -71.49 -44.22 65.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.318 -0.401 . . . . 2.08 111.365 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.856 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -44.24 -60.05 2.08 Favored 'General case' 0 C--O 1.215 -0.761 0 O-C-N 123.489 0.493 . . . . 0.47 110.596 173.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 45' ' ' MET . 11.6 mtt180 -59.62 -48.36 81.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.935 0.398 . . . . 0.69 111.037 -175.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.63 -56.76 17.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 0.42 111.148 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.59 -49.26 78.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.768 -0.651 . . . . 0.52 112.724 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.856 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 16.4 mt -77.9 -72.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.638 -0.425 . . . . 0.46 110.499 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.44 43.38 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.051 -1.071 . . . . 0.55 113.279 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -122.61 140.76 52.46 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.364 -0.606 . . . . 0.3 109.364 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.54 45.18 2.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.64 0.607 . . . . 1.93 112.64 -170.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -67.9 128.12 35.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.758 -0.46 . . . . 0.93 109.758 170.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.538 ' O ' HG22 ' A' ' 60' ' ' VAL . 5.4 p-10 -44.61 -40.11 5.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 115.19 1.552 . . . . 0.7 115.19 -170.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -61.45 -42.46 98.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.929 0.871 . . . . 2.31 108.759 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -66.02 -35.34 80.31 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 113.841 -1.527 . . . . 0.13 111.779 177.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.8 m -76.24 -38.81 34.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 119.945 -0.702 . . . . 0.25 110.249 -176.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -69.01 -30.26 68.61 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.226 -0.443 . . . . 1.71 110.251 176.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.502 ' HB2' HD13 ' A' ' 46' ' ' LEU . 73.0 t80 -63.03 -53.94 46.0 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.803 -0.814 . . . . 0.18 108.803 171.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.532 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.3 tmt_? -47.54 -61.07 2.1 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.905 -1.043 . . . . 1.44 111.096 176.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.532 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 55.7 m -47.8 -52.27 19.45 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.675 0.62 . . . . 1.3 112.675 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.553 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 10.8 t90 -65.13 -51.91 58.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.753 0.311 . . . . 0.23 111.362 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 7.4 t-105 -72.23 -23.51 61.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.39 111.566 -172.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 19.5 m-80 -94.15 -1.28 54.47 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 112.14 0.422 . . . . 0.38 112.14 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.4 m -93.92 -17.11 23.34 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.971 0.891 . . . . 0.85 108.725 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 9.4 ptm180 -114.09 -58.14 2.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.4 -1.273 . . . . 1.7 111.528 -172.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 m -106.07 -60.73 1.6 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.808 -1.087 . . . . 0.33 111.844 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.475 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.1 mtpt 76.25 24.67 1.09 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 114.426 -1.261 . . . . 1.2 109.453 -173.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.699 ' HB3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER 48.94 -166.19 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 123.935 1.826 . . . . 1.2 115.465 170.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ASP . . . -141.81 70.49 1.34 Allowed 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 110.639 -2.982 . . . . 0.93 106.142 173.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.57 ' HA ' HH22 ' A' ' 47' ' ' ARG . 2.2 m-20 -41.34 80.21 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 O-C-N 125.532 1.77 . . . . 2.37 113.246 -168.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ALA . 2.4 m-20 57.23 26.32 12.12 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.014 -0.994 . . . . 2.38 111.912 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.436 ' CE2' ' HB2' ' A' ' 74' ' ' ASN . 59.2 m-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.712 -0.661 . . . . 1.7 110.107 174.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.926 -0.469 . . . . 1.46 111.926 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.557 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -141.76 -143.09 0.15 Allowed 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.527 -0.916 . . . . 1.21 108.527 173.006 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.597 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 -145.33 -168.27 2.91 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.779 -0.452 . . . . 0.79 109.779 -175.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -159.46 140.8 12.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.926 -0.579 . . . . 1.67 109.693 167.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.87 -34.01 2.81 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.943 -0.646 . . . . 1.39 113.797 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.597 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -78.33 47.68 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.772 0.656 . . . . 1.85 112.772 -175.403 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.89 26.66 73.84 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.217 -0.992 . . . . 1.05 111.248 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.582 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -49.3 131.5 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.65 0 N-CA-C 113.66 0.985 . . . . 0.43 113.66 -176.85 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.13 -8.67 14.4 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 113.506 -1.679 . . . . 0.35 108.79 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.788 HD22 HD22 ' A' ' 44' ' ' LEU . 49.0 tp 58.74 -179.44 0.07 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.701 -1.136 . . . . 1.14 111.016 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.608 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 1.1 t -65.64 167.6 8.83 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.327 -0.62 . . . . 0.88 109.327 172.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.79 -58.92 5.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.099 0.778 . . . . 2.15 113.099 -164.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.86 -48.85 19.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.776 0.322 . . . . 2.05 111.208 -171.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.499 ' HB3' HD21 ' A' ' 19' ' ' LEU . 7.3 mp0 -46.73 -42.36 16.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.094 -0.957 . . . . 2.01 112.826 -177.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.741 ' CE2' HG21 ' A' ' 40' ' ' VAL . 36.1 t80 -66.32 -57.93 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.22 110.36 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -52.51 -40.04 61.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.575 0.702 . . . . 1.8 111.082 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -77.6 -17.01 58.23 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 122.059 -0.4 . . . . 1.27 110.97 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.596 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -62.4 -33.58 75.05 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.297 -0.631 . . . . 0.16 109.297 168.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 56.7 mtm180 -63.08 -30.83 71.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.498 -0.773 . . . . 2.63 109.027 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -76.67 -35.21 58.1 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.97 111.552 169.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.467 ' O ' HD11 ' A' ' 36' ' ' LEU . 16.1 t-160 -54.28 -40.93 68.3 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.888 -0.782 . . . . 0.14 108.888 173.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.585 ' ND2' ' HA ' ' A' ' 37' ' ' ASP . 25.0 t-20 -53.22 -49.51 66.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.304 -0.862 . . . . 1.78 110.236 172.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.23 -60.1 2.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.92 -1.036 . . . . 0.19 112.36 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.1 t -59.89 -36.68 77.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.653 -0.703 . . . . 0.27 112.816 -172.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.467 ' HD3' ' CD2' ' A' ' 65' ' ' TRP . 21.7 mmm180 -97.94 4.65 49.46 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.263 -0.575 . . . . 1.04 111.991 -175.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 59.82 24.16 13.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.148 0.499 . . . . 1.27 111.873 173.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.641 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -104.7 -173.4 2.3 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.754 -0.657 . . . . 0.36 109.235 176.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.585 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 31.4 t70 -139.18 32.29 2.14 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 122.248 1.023 . . . . 1.0 108.389 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.641 HD22 HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -59.45 148.38 33.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.723 -1.58 . . . . 0.34 111.432 -175.164 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -86.79 172.31 10.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.873 -0.603 . . . . 0.64 109.528 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.781 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -67.36 -42.55 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 120.311 -0.556 . . . . 0.19 111.473 -171.479 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.604 ' O ' ' HG3' ' A' ' 45' ' ' MET . 31.4 mt-10 -48.94 -51.57 29.49 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.448 0.468 . . . . 0.82 110.171 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.7 m-20 -53.89 -42.66 68.91 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.787 -0.642 . . . . 0.66 112.065 176.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.635 ' HD1' HD23 ' A' ' 44' ' ' LEU . 46.8 t80 -61.31 -52.14 65.94 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.304 0.573 . . . . 0.23 109.584 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.788 HD22 HD22 ' A' ' 19' ' ' LEU . 2.2 mt -55.75 -34.36 65.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.239 -1.346 . . . . 0.17 109.491 -175.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.604 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 79.1 mtp -62.93 -60.13 3.88 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.374 0.421 . . . . 1.27 111.284 173.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 20.5 mt -49.38 -52.03 31.04 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.644 -0.707 . . . . 0.14 111.77 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.468 HH21 ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -66.93 -41.57 86.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.068 -0.515 . . . . 2.08 109.828 -178.588 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.902 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -48.76 -65.16 0.61 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.83 -0.623 . . . . 0.47 110.591 173.357 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.633 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 6.4 mtt180 -57.4 -52.35 65.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.349 0.595 . . . . 0.69 109.977 -172.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.58 18.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.473 -1.239 . . . . 0.42 111.46 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.547 ' HB1' ' ND2' ' A' ' 74' ' ' ASN . . . -65.94 -36.75 84.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.021 0.748 . . . . 0.52 113.021 -178.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.902 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 19.7 mt -80.59 -71.79 0.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.554 -0.458 . . . . 0.46 110.904 -174.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.06 43.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.612 -0.804 . . . . 0.55 112.509 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.633 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -128.89 140.65 51.59 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.471 -0.566 . . . . 0.3 109.471 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -121.85 44.23 2.63 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.085 0.402 . . . . 1.93 112.085 -171.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.79 134.89 49.05 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.154 -0.684 . . . . 0.93 109.154 171.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.537 ' O ' HG22 ' A' ' 60' ' ' VAL . 2.9 p-10 -44.9 -43.95 9.29 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 115.709 1.744 . . . . 0.7 115.709 -169.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 p30 -62.07 -39.27 91.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.93 0.871 . . . . 2.31 109.321 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -69.23 -30.47 68.63 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 113.83 -1.532 . . . . 0.13 112.357 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.6 m -79.46 -35.79 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 119.574 -0.851 . . . . 0.25 109.987 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -70.51 -24.46 62.83 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 121.445 0.64 . . . . 1.71 109.778 174.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 83.8 t80 -67.99 -59.2 3.45 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.424 -0.954 . . . . 0.18 108.424 169.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -60.75 2.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.022 -0.99 . . . . 1.44 112.394 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.6 p -44.32 -54.75 5.5 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.47 0.915 . . . . 1.3 113.47 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.599 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 2.7 t90 -74.17 -48.08 31.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.765 0.316 . . . . 0.23 111.642 -178.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.711 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 69.1 t-105 -65.86 -36.19 82.75 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 122.899 0.48 . . . . 0.39 111.463 -171.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -84.48 1.24 46.5 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.424 0.631 . . . . 0.38 110.888 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.1 t -95.23 -20.34 19.29 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.909 0.861 . . . . 0.85 108.885 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 2.0 ptm180 -116.46 -62.41 1.59 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.247 -1.342 . . . . 1.7 111.402 -172.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.527 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 6.2 m -96.61 -64.8 1.01 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.061 -0.972 . . . . 0.33 111.654 -172.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.573 ' C ' ' HG3' ' A' ' 72' ' ' MET . 48.5 mtpt 77.63 1.89 2.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 114.637 -1.165 . . . . 1.2 111.963 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.711 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 47.52 -166.04 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.14 1.533 . . . . 1.2 115.14 166.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.432 ' H ' ' HB2' ' A' ' 72' ' ' MET . . . -140.0 34.59 1.94 Allowed 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 114.22 -1.354 . . . . 0.93 109.781 178.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.547 ' ND2' ' HB1' ' A' ' 51' ' ' ALA . 38.7 t-20 43.84 -87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 125.057 1.473 . . . . 2.37 111.18 -177.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -150.44 34.61 0.63 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.204 0.526 . . . . 2.38 109.593 170.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.386 -0.816 . . . . 1.7 110.39 -179.102 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.288 -0.325 . . . . 1.46 112.288 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.93 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -150.61 -143.36 0.13 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.932 -0.766 . . . . 1.21 108.932 177.291 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.517 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 1.5 m-85 -142.08 -167.7 2.53 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.07 -0.344 . . . . 0.79 110.07 -172.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -161.97 146.6 12.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 1.67 109.089 167.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.62 52.02 53.71 Favored Glycine 0 CA--C 1.517 0.202 0 C-N-CA 120.822 -0.704 . . . . 1.39 113.028 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.517 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -162.44 37.91 0.11 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.209 0.528 . . . . 1.85 111.127 179.458 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.06 28.8 67.78 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.656 -0.978 . . . . 1.05 110.656 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.481 HG21 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -53.68 128.76 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 N-CA-C 113.536 0.939 . . . . 0.43 113.536 -176.265 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.04 -8.78 15.77 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 113.762 -1.563 . . . . 0.35 108.821 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.965 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.2 tm? 59.47 177.24 0.08 Allowed 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.946 -1.025 . . . . 1.14 109.073 176.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.853 ' N ' HD13 ' A' ' 19' ' ' LEU . 14.0 t -66.1 172.37 3.84 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.61 -1.306 . . . . 0.88 110.198 172.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -59.9 -58.17 9.69 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 112.788 0.662 . . . . 2.15 112.788 -170.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.92 -62.71 1.35 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.972 0.36 . . . . 2.05 111.972 -172.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.965 ' HB2' HD11 ' A' ' 19' ' ' LEU . 58.7 mt-10 -56.58 -29.6 62.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.697 1.369 . . . . 2.01 114.697 -167.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.845 ' CE2' HG21 ' A' ' 40' ' ' VAL . 35.9 t80 -65.79 -58.13 6.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 118.664 0.665 . . . . 0.22 109.781 177.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -52.76 -43.49 65.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.635 0.731 . . . . 1.8 111.024 171.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.622 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 32.7 mm-40 -69.07 -22.06 64.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.5 -0.773 . . . . 1.27 111.931 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.18 -36.49 84.23 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.233 0.54 . . . . 0.16 109.561 174.585 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 54.1 mtm180 -63.32 -31.23 72.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.131 -0.94 . . . . 2.63 109.456 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -75.76 -39.91 56.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.177 -0.465 . . . . 0.97 110.75 171.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.431 ' CE1' HD13 ' A' ' 38' ' ' LEU . 15.7 t-160 -50.49 -37.95 41.45 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 110.193 -0.299 . . . . 0.14 110.193 172.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.563 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 26.1 t-20 -56.4 -51.79 67.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.017 -0.538 . . . . 1.78 109.974 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.73 -61.4 2.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.281 -0.872 . . . . 0.19 112.246 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.1 t -58.91 -40.93 85.97 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.99 0.737 . . . . 0.27 112.99 -171.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -91.28 -0.65 57.71 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.576 0.584 . . . . 1.04 112.576 -175.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.05 56.99 4.87 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.141 -0.936 . . . . 1.27 110.883 174.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.682 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -139.25 -174.24 3.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.523 -0.917 . . . . 0.36 108.523 -176.435 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -137.1 37.82 2.55 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.064 -1.087 . . . . 1.0 108.064 -176.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.682 HD22 HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -69.26 149.25 48.73 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.158 -1.383 . . . . 0.34 110.963 -175.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m -86.97 175.42 8.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.066 -0.516 . . . . 0.64 109.693 175.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.845 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -67.5 -46.47 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 120.219 -0.592 . . . . 0.19 110.148 -176.177 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.626 ' O ' ' HG3' ' A' ' 45' ' ' MET . 30.2 mt-10 -50.46 -43.81 55.44 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 123.615 0.572 . . . . 0.82 110.061 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 20.9 m-20 -59.17 -42.41 90.71 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.356 -0.384 . . . . 0.66 111.598 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.564 ' HD1' HD23 ' A' ' 44' ' ' LEU . 9.0 t80 -60.12 -51.89 67.7 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.597 0.713 . . . . 0.23 109.079 175.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.602 ' N ' HD23 ' A' ' 44' ' ' LEU . 2.6 mt -59.53 -25.82 64.83 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.152 -1.385 . . . . 0.17 110.085 -174.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 25.5 mtm -66.45 -60.02 3.13 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.306 0.575 . . . . 1.27 110.602 172.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 62' ' ' PHE . 19.5 mt -52.64 -52.94 53.31 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 114.84 -1.073 . . . . 0.14 110.705 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.488 ' HG3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -61.24 -50.69 72.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.097 -0.956 . . . . 2.08 111.047 178.439 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.882 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.32 -61.12 0.82 Allowed 'General case' 0 C--O 1.217 -0.658 0 O-C-N 123.526 0.516 . . . . 0.47 110.939 172.612 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.591 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 32.4 mtt-85 -63.37 -32.14 73.49 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.872 0.368 . . . . 0.69 110.598 -170.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.62 -58.49 4.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.154 -0.475 . . . . 0.42 110.91 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.94 -47.43 74.47 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.403 0.52 . . . . 0.52 112.403 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.882 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 12.4 mt -75.56 -69.25 0.5 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 0.46 110.371 -174.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.23 42.08 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.119 -1.038 . . . . 0.55 113.63 172.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -113.07 140.97 47.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.219 0.509 . . . . 0.3 110.563 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.48 43.84 1.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 1.93 111.676 -174.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.515 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 2.8 t70 -67.11 120.03 13.02 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.723 -0.843 . . . . 0.93 108.723 169.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.569 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.4 p-10 -39.99 -42.13 1.32 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 115.323 1.601 . . . . 0.7 115.323 -172.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.42 ' C ' HD22 ' A' ' 46' ' ' LEU . 28.4 m-20 -60.09 -41.34 92.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.948 0.88 . . . . 2.31 109.112 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -70.73 -34.01 71.44 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.017 -1.447 . . . . 0.13 111.832 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.1 m -74.93 -37.81 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 119.92 -0.712 . . . . 0.25 110.136 -175.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -68.5 -35.23 77.22 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.291 -0.413 . . . . 1.71 110.064 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.541 ' HB2' HD13 ' A' ' 46' ' ' LEU . 73.3 t80 -58.86 -57.37 13.34 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 109.088 -0.708 . . . . 0.18 109.088 172.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -46.1 -59.63 2.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.428 -0.805 . . . . 1.44 110.77 174.358 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.6 t -41.5 -57.98 2.05 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.994 0.809 . . . . 1.3 112.114 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.496 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 11.6 t90 -68.81 -49.72 56.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.899 0.381 . . . . 0.23 111.921 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 21.9 t-105 -72.9 -24.92 60.9 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.256 -0.429 . . . . 0.39 111.649 -169.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 23.2 m-80 -94.6 4.25 54.07 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.366 0.603 . . . . 0.38 110.862 -177.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -92.39 -21.27 20.31 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.507 0.67 . . . . 0.85 109.277 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -114.05 -65.09 1.22 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.901 -1.045 . . . . 1.7 110.766 -173.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.9 m -92.03 -58.74 2.3 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.562 -1.199 . . . . 0.33 111.808 -175.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.572 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.0 mtpt 73.16 22.8 2.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 124.609 1.193 . . . . 1.2 109.984 -172.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.572 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 43.67 -165.37 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 113.629 -1.623 . . . . 1.2 115.155 170.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.412 ' H ' ' HB2' ' A' ' 72' ' ' MET . . . -166.12 80.55 0.27 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.432 -1.258 . . . . 0.93 108.76 -176.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -19.1 -69.16 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 O-C-N 125.315 1.634 . . . . 2.37 112.632 -171.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -149.87 39.59 0.78 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.71 0.767 . . . . 2.38 109.201 169.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--O 1.248 0.999 0 CA-C-N 114.959 -1.019 . . . . 1.7 110.57 -176.786 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 111.847 -0.501 . . . . 1.46 111.847 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.668 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -130.62 -148.66 0.37 Allowed 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.66 -0.496 . . . . 1.21 109.66 178.051 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.575 ' CB ' ' HD3' ' A' ' 15' ' ' ARG . 1.0 OUTLIER -144.87 -156.66 0.72 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.591 0.71 . . . . 0.79 111.06 -168.086 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.492 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 9.5 ttp180 -165.23 145.91 7.22 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 113.883 -1.508 . . . . 1.67 108.05 172.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.42 58.25 2.95 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 119.62 -1.276 . . . . 1.39 113.821 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.575 ' HD3' ' CB ' ' A' ' 12' ' ' TYR . 11.7 ptm180 -179.31 33.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.957 0.378 . . . . 1.85 111.133 -177.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.03 31.07 71.55 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.062 -1.215 . . . . 1.05 110.062 -172.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.474 HG11 ' C ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -41.4 128.18 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.762 0 CA-C-N 114.399 -0.901 . . . . 0.43 112.964 -176.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.96 -14.37 29.61 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.338 -1.301 . . . . 0.35 109.509 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' A' ' 23' ' ' GLU . 2.5 tm? 60.86 -172.35 0.14 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 107.824 -1.176 . . . . 1.14 107.824 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.799 ' N ' HD13 ' A' ' 19' ' ' LEU . 2.5 t -70.71 162.81 28.37 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 120.833 -1.167 . . . . 0.88 108.925 166.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -58.08 -57.9 10.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.161 0.801 . . . . 2.15 113.161 -168.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.92 -58.05 4.31 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.851 0.315 . . . . 2.05 111.851 -170.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.884 ' HB2' HD11 ' A' ' 19' ' ' LEU . 11.3 mm-40 -46.6 -38.4 9.52 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.017 1.117 . . . . 2.01 114.017 -175.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.641 ' CE2' HG21 ' A' ' 40' ' ' VAL . 39.1 t80 -61.04 -59.34 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.18 0.514 . . . . 0.22 110.477 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -51.62 -40.72 60.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 1.8 110.599 171.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.615 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 13.0 mm-40 -67.89 -21.63 65.14 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.504 -0.771 . . . . 1.27 112.078 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.594 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -64.4 -37.65 88.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.653 -0.499 . . . . 0.16 109.653 174.052 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 45.0 mtm180 -60.76 -35.22 75.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.467 -0.788 . . . . 2.63 109.441 176.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.33 -36.92 63.69 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.068 -0.515 . . . . 0.97 110.683 173.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.446 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.0 t-160 -52.68 -40.24 62.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.475 -0.33 . . . . 0.14 110.473 173.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.47 ' HA ' HD12 ' A' ' 36' ' ' LEU . 8.4 m120 -53.5 -50.84 64.53 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.573 0.546 . . . . 1.78 109.844 173.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.04 -60.65 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.137 -0.938 . . . . 0.19 112.392 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 65' ' ' TRP . 30.4 t -59.94 -38.82 83.52 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.794 0.664 . . . . 0.27 112.794 -170.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.488 HH11 ' HB2' ' A' ' 65' ' ' TRP . 8.1 mmm180 -91.64 4.14 53.39 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.324 -0.55 . . . . 1.04 111.539 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 54.69 42.11 31.45 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.169 -0.923 . . . . 1.27 111.769 174.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.664 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -129.62 -175.78 3.7 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.168 -0.679 . . . . 0.36 109.168 -177.049 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -141.45 105.47 4.77 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.664 HD22 HD13 ' A' ' 36' ' ' LEU . 2.3 pt? -136.21 155.67 49.79 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.815 -0.629 . . . . 0.34 109.98 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.8 m -89.75 167.51 12.82 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.003 -0.999 . . . . 0.64 109.302 175.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.736 HG22 HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -61.03 -44.07 97.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.705 -0.398 . . . . 0.19 110.852 -169.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' ' 45' ' ' MET . 35.0 mt-10 -44.49 -53.6 6.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.838 0.711 . . . . 0.82 111.015 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.3 m-20 -58.42 -42.15 86.58 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.412 -0.358 . . . . 0.66 111.889 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.682 ' HD1' HD23 ' A' ' 44' ' ' LEU . 18.6 t80 -59.02 -53.87 53.52 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.19 -0.67 . . . . 0.23 109.19 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.848 HD22 ' HG ' ' A' ' 19' ' ' LEU . 1.9 mt -53.9 -33.56 56.94 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 114.175 -1.375 . . . . 0.17 110.004 -178.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.581 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 91.8 mtp -66.3 -56.26 12.03 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.336 0.397 . . . . 1.27 110.775 174.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 31.5 mt -46.78 -51.12 17.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.754 -0.657 . . . . 0.14 111.633 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.59 ' NH2' ' HG3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -69.29 -46.3 67.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.23 -0.441 . . . . 2.08 110.666 178.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.902 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -45.09 -62.84 1.09 Allowed 'General case' 0 C--O 1.214 -0.794 0 O-C-N 123.963 0.79 . . . . 0.47 111.07 177.031 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.581 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 13.3 mtt180 -53.03 -52.71 57.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.86 0.362 . . . . 0.69 110.716 -174.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.07 -55.95 17.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.232 -0.895 . . . . 0.42 111.61 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.675 ' HB1' HD22 ' A' ' 74' ' ' ASN . . . -56.74 -39.96 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.592 0.757 . . . . 0.52 112.577 178.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.902 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -89.22 -73.16 0.52 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.389 -0.369 . . . . 0.46 110.762 -171.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.07 36.88 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.992 -1.099 . . . . 0.55 113.416 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -121.42 138.1 54.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.28 0.54 . . . . 0.3 110.333 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.4 49.12 1.31 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.274 -0.421 . . . . 1.93 111.498 -173.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.99 130.33 41.87 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.193 -0.669 . . . . 0.93 109.193 171.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.597 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.5 p-10 -46.06 -37.8 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 115.255 1.576 . . . . 0.7 115.255 -169.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -43.1 99.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 119.011 0.823 . . . . 2.31 109.223 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.93 -35.83 81.7 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 113.954 -1.475 . . . . 0.13 111.556 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.8 m -75.9 -38.2 35.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.951 -0.699 . . . . 0.25 110.537 -176.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -70.37 -24.02 62.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.225 0.536 . . . . 1.71 110.25 176.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.467 ' HB2' HD13 ' A' ' 46' ' ' LEU . 82.5 t80 -67.75 -54.19 21.26 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.888 -0.782 . . . . 0.18 108.888 169.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -51.85 -60.79 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.216 -0.902 . . . . 1.44 111.307 177.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.448 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 49.8 m -48.17 -37.31 15.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.221 0.823 . . . . 1.3 113.221 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.488 ' HB2' HH11 ' A' ' 34' ' ' ARG . 8.9 t90 -82.19 -53.16 6.29 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.137 -0.352 . . . . 0.23 111.109 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.672 ' CD1' ' HB3' ' A' ' 72' ' ' MET . 11.7 t-105 -68.06 -25.98 65.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.02 -0.536 . . . . 0.39 111.378 -170.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.568 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 25.5 m-80 -94.42 1.43 55.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.38 111.747 -176.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 66.0 m -93.82 -18.12 22.36 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.696 0.76 . . . . 0.85 109.379 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -114.02 -69.77 0.84 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.672 -1.149 . . . . 1.7 110.377 -174.546 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.2 m -85.2 -56.96 3.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.3 -1.318 . . . . 0.33 111.844 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.588 ' C ' ' HG3' ' A' ' 72' ' ' MET . 31.3 mtpt 74.7 21.49 2.16 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 114.53 -1.214 . . . . 1.2 109.454 -171.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.672 ' HB3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 44.68 -163.6 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 113.01 -1.905 . . . . 1.2 115.478 168.435 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.424 ' H ' ' HB2' ' A' ' 72' ' ' MET . . . -157.53 84.8 0.91 Allowed 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 113.625 -1.625 . . . . 0.93 107.046 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.675 HD22 ' HB1' ' A' ' 51' ' ' ALA . 15.3 m120 -25.81 -55.82 0.06 Allowed 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.939 1.399 . . . . 2.37 113.057 -174.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -159.14 30.62 0.21 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.185 0.517 . . . . 2.38 110.528 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.555 -0.736 . . . . 1.7 110.794 -176.78 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.597 -0.601 . . . . 1.46 111.597 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.723 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -111.88 -155.5 0.57 Allowed 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 121.571 0.7 . . . . 1.21 110.593 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.671 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 4.5 m-85 -132.99 -155.34 0.67 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.662 -1.154 . . . . 0.79 108.958 -174.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -169.48 115.84 0.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.412 0.445 . . . . 1.67 109.981 172.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.46 ' HA2' ' OE1' ' A' ' 41' ' ' GLU . . . 112.01 -45.14 1.36 Allowed Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.383 -0.913 . . . . 1.39 113.009 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.671 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -78.64 54.55 1.51 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 112.807 0.669 . . . . 1.85 112.807 -172.416 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.28 30.52 76.87 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.009 -1.091 . . . . 1.05 111.375 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -54.72 132.11 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.655 0 CA-C-O 122.253 1.025 . . . . 0.43 113.587 -176.197 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.47 -13.92 15.88 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 113.452 -1.704 . . . . 0.35 109.253 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.002 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.3 tm? 62.77 178.27 0.14 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.109 0.881 . . . . 1.14 108.913 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.876 ' N ' HD13 ' A' ' 19' ' ' LEU . 4.3 t -68.67 177.65 2.41 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.821 -1.175 . . . . 0.88 109.351 170.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.96 -53.56 30.54 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 121.852 -0.53 . . . . 2.15 112.214 -172.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.74 -62.83 1.24 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.46 0.541 . . . . 2.05 112.46 -171.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 1.002 ' HB2' HD11 ' A' ' 19' ' ' LEU . 22.0 mm-40 -48.21 -32.93 7.78 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.754 1.02 . . . . 2.01 113.754 -173.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.664 ' CD2' HG21 ' A' ' 40' ' ' VAL . 30.7 t80 -67.1 -56.01 11.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.01 0.433 . . . . 0.22 109.854 -179.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -52.06 -44.57 64.34 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.69 0.757 . . . . 1.8 110.766 170.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.651 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.6 mm-40 -70.67 -18.95 62.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.588 -0.733 . . . . 1.27 111.786 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.665 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -65.87 -38.26 88.34 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 120.998 0.427 . . . . 0.16 110.012 173.52 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -60.72 -32.81 72.05 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.312 -0.858 . . . . 2.63 109.107 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -77.87 -39.24 43.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.764 -0.653 . . . . 0.97 111.082 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 10.1 t-160 -50.39 -41.43 52.02 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.631 0.253 . . . . 0.14 110.438 172.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.509 ' HA ' HD12 ' A' ' 36' ' ' LEU . 9.7 t30 -57.27 -48.08 79.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.776 -0.647 . . . . 1.78 110.11 176.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.48 -61.22 1.92 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.894 -1.048 . . . . 0.19 112.368 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.407 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 34.2 t -56.57 -44.98 81.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.621 0.6 . . . . 0.27 112.621 -173.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -84.53 -2.07 56.78 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.845 -0.342 . . . . 1.04 111.3 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 58.92 31.44 21.32 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.634 -0.712 . . . . 1.27 111.63 173.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.573 HD13 HD22 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -109.32 -169.22 1.44 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.833 -0.621 . . . . 0.36 110.342 -179.136 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -141.26 103.17 4.38 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.821 -0.807 . . . . 1.0 108.821 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.573 HD22 HD13 ' A' ' 36' ' ' LEU . 1.5 pt? -137.22 161.5 36.02 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.584 0.707 . . . . 0.34 110.895 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -102.47 154.12 19.4 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.769 -1.197 . . . . 0.64 107.769 171.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.726 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -45.28 -39.62 2.37 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 113.051 0.76 . . . . 0.19 113.051 -171.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.664 ' O ' ' HG3' ' A' ' 45' ' ' MET . 22.2 mt-10 -48.92 -55.28 12.26 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.342 0.401 . . . . 0.82 111.102 -179.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.587 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 9.9 m-20 -57.98 -34.3 69.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.617 -0.265 . . . . 0.66 111.38 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.582 ' HD1' HD23 ' A' ' 44' ' ' LEU . 6.7 t80 -63.5 -53.26 54.72 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.157 -0.683 . . . . 0.23 109.157 173.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.726 HD21 HG22 ' A' ' 40' ' ' VAL . 3.5 mt -57.01 -30.12 63.92 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 114.454 -1.248 . . . . 0.17 110.024 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.664 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 72.4 mtp -65.74 -58.23 6.16 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.973 0.795 . . . . 1.27 110.509 174.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 24.2 mt -50.56 -54.5 22.04 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.82 -0.627 . . . . 0.14 111.056 178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -58.83 -51.34 70.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.485 -0.78 . . . . 2.08 110.801 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.873 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -41.36 -62.72 0.81 Allowed 'General case' 0 C--O 1.213 -0.82 0 O-C-N 123.783 0.677 . . . . 0.47 111.324 174.142 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 16.8 mtt180 -57.26 -42.32 81.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.723 0.297 . . . . 0.69 110.954 -170.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.55 -55.67 28.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.861 -0.609 . . . . 0.42 110.868 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.43 -40.9 79.39 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.612 0.597 . . . . 0.52 112.612 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.873 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.0 mt -82.99 -77.04 0.25 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.431 -0.35 . . . . 0.46 110.603 -174.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.06 16.23 0.02 OUTLIER Glycine 0 CA--C 1.522 0.503 0 C-N-CA 119.838 -1.172 . . . . 0.55 114.023 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.575 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -95.27 134.48 37.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.678 0.739 . . . . 0.3 111.123 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -109.41 47.83 0.91 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.682 -0.69 . . . . 1.93 111.36 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 14.4 t70 -69.88 122.38 19.15 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.005 -0.739 . . . . 0.93 109.005 169.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.515 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.4 p-10 -38.55 -42.48 0.77 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 115.752 1.76 . . . . 0.7 115.752 -173.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' C ' HD22 ' A' ' 46' ' ' LEU . 26.9 m-20 -61.94 -38.54 88.87 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.38 0.991 . . . . 2.31 109.196 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.3 -33.49 67.43 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.506 -1.225 . . . . 0.13 111.425 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.515 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.2 m -76.84 -36.68 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 119.922 -0.711 . . . . 0.25 110.093 -176.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -71.43 -30.54 66.18 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.245 -0.434 . . . . 1.71 109.846 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.489 ' HB2' HD13 ' A' ' 46' ' ' LEU . 60.9 t80 -60.41 -57.61 12.05 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.781 -0.822 . . . . 0.18 108.781 170.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.6 tmt_? -48.22 -60.76 2.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.383 -0.826 . . . . 1.44 110.948 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.436 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 49.9 m -42.49 -56.59 2.99 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.844 0.715 . . . . 1.3 112.555 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.477 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 7.7 t90 -66.88 -49.46 65.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.699 0.285 . . . . 0.23 111.513 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.651 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 8.5 t-105 -70.98 -24.28 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.356 -0.384 . . . . 0.39 111.511 -170.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 18.7 m-80 -95.27 2.66 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.369 0.604 . . . . 0.38 110.768 -175.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.0 m -92.24 -21.33 20.39 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 121.737 0.779 . . . . 0.85 109.39 174.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.24 -68.45 0.93 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.663 -1.153 . . . . 1.7 110.82 -174.35 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 26.2 m -91.6 -58.21 2.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.547 -1.206 . . . . 0.33 111.944 -174.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.621 ' C ' ' HG3' ' A' ' 72' ' ' MET . 51.2 mtpt 75.25 22.53 1.7 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.652 -1.158 . . . . 1.2 110.002 -173.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.621 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 1.2 ppp? 43.87 -165.9 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 113.662 -1.608 . . . . 1.2 114.79 171.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.55 50.06 1.22 Allowed 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 113.516 -1.675 . . . . 0.93 108.639 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.405 ' HA ' ' CE ' ' A' ' 72' ' ' MET . 7.6 m120 18.38 -95.71 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.36 0 O-C-N 125.656 1.847 . . . . 2.37 112.788 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -133.04 35.85 3.5 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.764 -0.828 . . . . 2.38 108.764 173.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.423 -0.798 . . . . 1.7 110.144 178.65 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.081 -0.408 . . . . 1.46 112.081 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.853 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -141.56 -143.7 0.15 Allowed 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.07 0.462 . . . . 1.21 109.834 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.572 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 -140.65 -167.28 2.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.643 -0.708 . . . . 0.79 109.207 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -176.51 141.55 0.4 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.241 -1.022 . . . . 1.67 108.241 169.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.43 41.42 4.82 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 119.774 -1.203 . . . . 1.39 110.891 -172.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.572 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 6.2 ptp180 -173.34 -166.83 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.162 -0.519 . . . . 1.85 109.916 -172.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.64 49.29 2.37 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.756 -0.657 . . . . 1.05 112.141 173.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.508 HG13 ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -61.88 133.02 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-O 121.772 0.796 . . . . 0.43 112.058 -179.375 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.26 -9.39 14.3 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.158 -1.383 . . . . 0.35 108.947 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 20' ' ' THR . 3.1 tm? 59.51 179.8 0.08 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.092 -0.958 . . . . 1.14 108.743 176.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.865 ' N ' HD13 ' A' ' 19' ' ' LEU . 12.2 t -67.67 -177.16 0.72 Allowed 'General case' 0 C--N 1.321 -0.667 0 O-C-N 120.604 -1.31 . . . . 0.88 109.627 170.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -72.1 -57.31 4.37 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 112.762 0.652 . . . . 2.15 112.762 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -67.16 -61.19 2.05 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.08 0.4 . . . . 2.05 112.08 -173.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.773 ' CB ' HD11 ' A' ' 19' ' ' LEU . 5.8 mt-10 -46.91 -35.95 7.04 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.19 1.181 . . . . 2.01 114.19 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.739 ' CD2' HG21 ' A' ' 40' ' ' VAL . 34.4 t80 -68.64 -54.88 13.69 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.255 0.48 . . . . 0.22 110.076 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.24 -43.97 61.6 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.554 0.692 . . . . 1.8 110.893 171.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.572 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 39.0 mt-10 -77.01 -16.54 59.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.889 -0.596 . . . . 1.27 112.318 -177.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.674 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -62.44 -36.11 81.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.375 -0.602 . . . . 0.16 109.375 168.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -62.73 -34.63 77.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.191 -0.913 . . . . 2.63 109.116 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.41 -43.42 70.04 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.953 -0.567 . . . . 0.97 110.719 171.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.454 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 12.6 t-160 -49.07 -43.8 41.36 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.308 -0.405 . . . . 0.14 111.205 175.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.503 ' HA ' HD12 ' A' ' 36' ' ' LEU . 11.2 t30 -60.22 -43.73 95.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.22 0.533 . . . . 1.78 110.269 178.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.24 -60.97 2.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.123 -0.944 . . . . 0.19 111.713 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -57.14 -48.68 78.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.711 -0.677 . . . . 0.27 112.795 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.447 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 10.5 mmm180 -82.7 -4.67 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.641 0.258 . . . . 1.04 111.514 -175.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt 60.67 27.42 17.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.647 -0.706 . . . . 1.27 111.552 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD13 HD22 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -101.9 -168.29 1.52 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.752 -0.658 . . . . 0.36 110.252 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -145.93 95.08 2.58 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD22 HD13 ' A' ' 36' ' ' LEU . 1.5 pt? -128.44 163.14 25.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.468 0.652 . . . . 0.34 110.919 -173.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.7 p -91.93 156.81 17.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.024 -1.102 . . . . 0.64 108.024 169.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.739 HG21 ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -50.39 -37.17 14.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 C-N-CA 120.273 -0.571 . . . . 0.19 110.79 177.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.605 ' O ' ' HG3' ' A' ' 45' ' ' MET . 30.1 mt-10 -53.12 -51.25 62.54 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.465 0.478 . . . . 0.82 110.168 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.506 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 34.6 m-20 -55.41 -41.14 72.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.494 -0.321 . . . . 0.66 111.332 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.682 ' HD1' HD23 ' A' ' 44' ' ' LEU . 3.2 t80 -60.32 -51.21 70.5 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.368 0.604 . . . . 0.23 109.446 176.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.729 HD21 HG22 ' A' ' 40' ' ' VAL . 3.5 mt -57.96 -32.2 67.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.432 -1.258 . . . . 0.17 109.567 -174.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.605 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 73.7 mtp -64.33 -59.04 4.85 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.637 0.585 . . . . 1.27 110.893 174.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 23.2 mt -49.3 -54.36 17.37 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.551 0.691 . . . . 0.14 110.845 178.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.601 ' HG3' ' OE2' ' A' ' 23' ' ' GLU . 1.1 ttt180 -58.23 -53.55 56.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.599 -1.182 . . . . 2.08 110.723 178.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.871 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 7.9 m170 -42.67 -60.69 1.47 Allowed 'General case' 0 C--O 1.218 -0.588 0 O-C-N 123.602 0.564 . . . . 0.47 111.342 175.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.563 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 18.7 mtt180 -56.19 -45.92 79.61 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.208 -0.597 . . . . 0.69 109.92 -173.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.68 -58.74 7.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.604 -0.725 . . . . 0.42 111.496 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . . . -55.44 -40.27 71.35 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.616 0.599 . . . . 0.52 112.616 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.871 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 21.2 mt -80.67 -70.02 0.56 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.491 -0.322 . . . . 0.46 110.592 -174.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.51 28.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.23 -0.986 . . . . 0.55 113.427 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -109.17 139.54 43.94 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.482 0.658 . . . . 0.3 111.376 177.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -118.95 52.64 1.04 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.413 -0.812 . . . . 1.93 111.385 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -75.95 130.77 38.98 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.729 -0.841 . . . . 0.93 108.729 170.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.678 ' HA ' HG22 ' A' ' 60' ' ' VAL . 2.8 p-10 -40.42 -42.59 1.63 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 116.295 1.961 . . . . 0.7 116.295 -169.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.2 p30 -61.65 -38.28 87.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 119.475 1.034 . . . . 2.31 109.952 -178.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 62' ' ' PHE . . . -73.18 -32.45 64.84 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.368 -1.287 . . . . 0.13 111.697 176.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' A' ' 57' ' ' ASN . 4.2 m -73.86 -39.96 52.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 C-N-CA 119.783 -0.767 . . . . 0.25 110.15 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -65.48 -26.19 67.82 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.036 -0.529 . . . . 1.71 110.358 174.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.472 ' HB2' HD13 ' A' ' 46' ' ' LEU . 89.7 t80 -66.92 -59.69 3.29 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.71 -0.677 . . . . 0.18 110.21 174.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.598 ' HB2' ' ND2' ' A' ' 67' ' ' ASN . 4.0 ppt_? -63.67 -48.56 76.67 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 112.659 0.614 . . . . 1.44 112.659 -176.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.7 p -45.33 -38.29 5.61 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 111.969 0.359 . . . . 1.3 111.969 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.457 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 4.0 t90 -86.13 -42.26 14.03 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.015 0.376 . . . . 0.23 112.015 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.572 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 7.6 t-105 -77.88 -24.37 48.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.759 0.281 . . . . 0.39 111.759 -171.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.598 ' ND2' ' HB2' ' A' ' 63' ' ' ARG . 68.4 m-20 -85.34 -6.07 59.26 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.236 0.541 . . . . 0.38 111.297 -176.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.6 t -94.26 -16.96 23.14 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.482 0.658 . . . . 0.85 109.587 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.476 ' HG3' ' H ' ' A' ' 70' ' ' THR . 5.2 ptp180 -114.15 -65.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.361 -0.836 . . . . 1.7 111.213 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.476 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 44.1 m -98.61 -57.35 2.21 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.176 -0.92 . . . . 0.33 111.744 -176.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.505 ' C ' ' HG3' ' A' ' 72' ' ' MET . 52.4 mtpt 74.76 32.26 0.86 Allowed 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.723 1.264 . . . . 1.2 109.574 -170.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.505 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 50.02 -76.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 113.743 -1.571 . . . . 1.2 114.808 175.328 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.413 ' HB1' ' HB2' ' A' ' 76' ' ' TYR . . . 98.2 74.66 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 107.17 -1.418 . . . . 0.93 107.17 -162.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.569 ' ND2' ' HA ' ' A' ' 51' ' ' ALA . 1.5 m-20 -47.43 85.32 0.0 OUTLIER 'General case' 0 C--O 1.235 0.3 0 CA-C-N 113.298 -1.774 . . . . 2.37 112.397 -169.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 65.11 21.25 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.339 -0.846 . . . . 2.38 111.253 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.413 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 78.3 m-85 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.534 -0.746 . . . . 1.7 110.726 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 112.165 -0.374 . . . . 1.46 112.165 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.595 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -120.74 -157.05 0.7 Allowed 'General case' 0 N--CA 1.435 -1.18 0 CA-C-O 121.553 0.692 . . . . 1.21 110.928 179.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.554 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.6 m-85 -140.9 -161.94 1.29 Allowed 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.377 -1.283 . . . . 0.79 109.051 -173.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 35.8 ttp180 -163.72 146.36 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.221 -0.445 . . . . 1.67 110.179 169.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.89 42.77 99.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 1.39 112.463 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.554 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -149.99 34.18 0.67 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.351 0.596 . . . . 1.85 110.571 -179.156 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.66 27.45 71.0 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.309 -0.948 . . . . 1.05 110.935 -175.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.454 HG21 HD12 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -50.07 126.81 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 CA-C-O 121.935 0.874 . . . . 0.43 112.543 -178.216 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.64 -19.55 15.39 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 113.948 -1.478 . . . . 0.35 109.174 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.123 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.32 165.91 0.11 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.124 -0.944 . . . . 1.14 109.526 176.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.858 ' N ' HD13 ' A' ' 19' ' ' LEU . 8.3 t -60.79 168.89 2.09 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.293 -0.879 . . . . 0.88 110.554 175.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.59 -44.06 95.13 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.225 0.824 . . . . 2.15 113.225 -167.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.465 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 32.3 t70 -78.91 -63.48 1.41 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.261 0.467 . . . . 2.05 112.261 -171.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 1.123 ' HB2' HD11 ' A' ' 19' ' ' LEU . 28.8 mt-10 -45.98 -37.59 6.72 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.604 0.964 . . . . 2.01 113.604 -174.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.828 ' CE2' HG21 ' A' ' 40' ' ' VAL . 37.1 t80 -64.43 -58.51 6.23 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.089 0.471 . . . . 0.22 110.329 -177.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -40.79 61.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.137 0.494 . . . . 1.8 111.21 171.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.598 ' HB3' ' CZ2' ' A' ' 66' ' ' TRP . 13.1 mm-40 -69.32 -22.89 63.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 1.27 111.683 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.585 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -63.8 -36.97 85.65 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.16 110.105 174.553 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 40.4 mtm180 -62.16 -36.25 81.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.731 -0.668 . . . . 2.63 109.357 177.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.82 -38.33 73.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.93 -0.577 . . . . 0.97 110.715 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 13.2 t-160 -51.59 -41.79 61.46 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.179 -0.464 . . . . 0.14 110.369 173.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.522 ' OD1' HD23 ' A' ' 38' ' ' LEU . 27.3 m-20 -53.91 -48.05 70.56 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.35 0.595 . . . . 1.78 110.655 175.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.23 -60.48 2.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.194 -0.912 . . . . 0.19 112.155 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 t -58.97 -42.4 89.85 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.02 0.748 . . . . 0.27 113.02 -171.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -92.31 6.9 45.12 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.972 0.73 . . . . 1.04 112.972 -171.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.55 54.68 8.95 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.039 -0.528 . . . . 1.27 111.028 177.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.549 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -144.24 -175.04 4.46 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.921 -0.77 . . . . 0.36 108.921 -176.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -149.24 93.46 2.08 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 109.098 -0.705 . . . . 1.0 109.098 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.549 HD22 HD13 ' A' ' 36' ' ' LEU . 2.3 pt? -123.31 154.63 38.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.308 0.575 . . . . 0.34 110.621 -176.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -83.7 168.93 15.81 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.038 -0.983 . . . . 0.64 108.808 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.828 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -63.96 -42.11 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 C-N-CA 119.928 -0.709 . . . . 0.19 110.613 -174.558 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.612 ' O ' ' HG3' ' A' ' 45' ' ' MET . 24.5 mt-10 -45.89 -54.72 7.72 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.793 0.683 . . . . 0.82 110.131 178.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.513 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 7.1 m-20 -54.67 -42.6 71.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.518 -0.764 . . . . 0.66 111.608 178.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.724 ' HD1' HD23 ' A' ' 44' ' ' LEU . 16.5 t80 -60.89 -54.39 45.61 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.46 0.648 . . . . 0.23 109.655 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.724 HD23 ' HD1' ' A' ' 43' ' ' PHE . 2.9 mt -54.32 -33.78 59.6 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 114.224 -1.353 . . . . 0.17 109.609 -176.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.612 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 81.0 mtp -60.89 -59.09 5.93 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.469 0.481 . . . . 1.27 110.866 174.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.58 HD13 ' HB2' ' A' ' 62' ' ' PHE . 22.1 mt -48.1 -52.76 19.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.151 -0.931 . . . . 0.14 111.88 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.478 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -69.33 -42.37 75.42 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.888 -0.325 . . . . 2.08 110.503 -179.481 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.929 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -47.5 -64.19 0.85 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.826 -0.625 . . . . 0.47 110.964 176.235 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.531 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 17.0 mtt180 -54.63 -50.97 66.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.045 0.45 . . . . 0.69 110.808 -172.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.56 -54.04 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.924 -1.035 . . . . 0.42 111.461 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.684 ' HB2' HD22 ' A' ' 74' ' ' ASN . . . -63.52 -37.71 88.36 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.606 0.595 . . . . 0.52 112.606 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.929 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 15.5 mt -84.7 -73.95 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.117 -0.233 . . . . 0.46 110.583 -172.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.93 39.32 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.467 -0.873 . . . . 0.55 112.645 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -122.16 141.87 50.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.014 0.435 . . . . 0.3 110.24 178.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -116.53 41.24 2.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.83 0.678 . . . . 1.93 112.83 -172.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 3.6 t70 -63.51 125.67 24.98 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.935 -0.765 . . . . 0.93 108.935 170.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.584 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.2 p-10 -46.07 -36.05 5.42 Favored 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 115.181 1.549 . . . . 0.7 115.181 -171.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -62.55 -44.12 97.12 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.663 -0.866 . . . . 2.31 108.663 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.72 88.48 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 113.771 -1.558 . . . . 0.13 111.489 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.584 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.8 m -76.06 -37.4 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 119.939 -0.704 . . . . 0.25 110.581 -176.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -70.8 -31.28 67.98 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 120.879 0.371 . . . . 1.71 110.428 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.58 ' HB2' HD13 ' A' ' 46' ' ' LEU . 81.0 t80 -60.42 -53.25 59.78 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 108.966 -0.753 . . . . 0.18 108.966 170.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -48.88 -59.27 3.73 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.72 -1.127 . . . . 1.44 110.715 175.374 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.8 t -41.04 -60.11 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.936 0.772 . . . . 1.3 111.996 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.451 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 8.1 t90 -67.8 -53.05 30.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.692 0.282 . . . . 0.23 111.572 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.63 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 23.3 t-105 -68.25 -27.24 66.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.375 -0.375 . . . . 0.39 111.61 -169.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.544 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 15.4 m-80 -90.1 -1.26 57.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.967 0.358 . . . . 0.38 111.967 -176.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -94.01 -15.91 24.39 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.983 0.897 . . . . 0.85 109.396 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.98 -64.14 1.35 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.377 -1.283 . . . . 1.7 110.319 -175.16 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -95.59 -64.83 1.02 Allowed 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 114.579 -1.191 . . . . 0.33 111.913 -176.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HG2' ' HA ' ' A' ' 67' ' ' ASN . 36.3 mtpt 63.72 85.85 0.13 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.201 -1.363 . . . . 1.2 107.762 -159.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.63 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 4.5 ptt? -34.67 172.73 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 112.218 -2.265 . . . . 1.2 115.938 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -108.97 65.61 0.62 Allowed 'General case' 0 N--CA 1.431 -1.381 0 N-CA-C 106.717 -1.586 . . . . 0.93 106.717 -178.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.684 HD22 ' HB2' ' A' ' 51' ' ' ALA . 6.2 m120 -41.14 84.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 125.977 2.048 . . . . 2.37 112.628 -173.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 60.65 19.3 9.29 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.292 0.637 . . . . 2.38 112.066 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.766 -0.635 . . . . 1.7 110.074 177.634 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.864 0 N-CA-C 112.002 -0.439 . . . . 1.46 112.002 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.621 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -114.42 -152.27 0.5 Allowed 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 121.61 0.719 . . . . 1.21 111.08 -178.221 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.632 ' HB2' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -139.17 -157.1 0.74 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.555 -1.202 . . . . 0.79 109.953 -171.737 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' CD ' ' HB3' ' A' ' 41' ' ' GLU . 11.9 ttp180 -158.55 176.6 12.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.245 -1.391 . . . . 1.67 107.245 170.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.91 -62.6 4.19 Favored Glycine 0 CA--C 1.509 -0.324 0 C-N-CA 119.16 -1.495 . . . . 1.39 113.845 171.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.632 ' HD3' ' HB2' ' A' ' 12' ' ' TYR . 6.6 ptm180 -65.97 28.5 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 125.175 1.39 . . . . 1.85 113.698 -175.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.77 -33.71 1.65 Allowed Glycine 0 C--O 1.227 -0.335 0 C-N-CA 120.626 -0.797 . . . . 1.05 111.202 -172.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 45.6 116.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.873 1.669 . . . . 0.43 114.482 176.135 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.38 -24.97 39.39 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.017 -1.447 . . . . 0.35 109.868 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.894 HD21 ' HB3' ' A' ' 23' ' ' GLU . 44.5 tp 60.03 -172.17 0.13 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.308 -0.86 . . . . 1.14 109.12 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.463 HG22 ' HB2' ' A' ' 23' ' ' GLU . 14.4 t -86.79 177.98 7.14 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 119.273 -0.971 . . . . 0.88 109.472 176.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.16 -50.69 65.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.627 0.251 . . . . 2.15 111.36 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -66.95 -63.49 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.119 -0.491 . . . . 2.05 111.145 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.894 ' HB3' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -45.53 -48.92 14.19 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.628 0.973 . . . . 2.01 113.628 -173.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.83 ' CE2' HG21 ' A' ' 40' ' ' VAL . 30.4 t80 -66.14 -52.77 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.233 0.539 . . . . 0.22 110.579 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.26 -43.87 71.33 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.345 -0.843 . . . . 1.8 110.494 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.697 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 18.3 mm-40 -68.72 -26.13 65.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.582 -0.736 . . . . 1.27 111.749 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CD2' HG23 ' A' ' 40' ' ' VAL . 2.5 t90 -61.48 -38.21 86.47 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.068 0.461 . . . . 0.16 110.323 175.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -63.67 -29.97 71.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.578 -0.737 . . . . 2.63 109.373 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -75.15 -40.4 59.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.949 -0.569 . . . . 0.97 110.786 172.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.472 ' CE1' HD13 ' A' ' 38' ' ' LEU . 16.3 t-160 -50.81 -42.77 58.53 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.576 -0.284 . . . . 0.14 110.287 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.642 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 44.4 t-20 -54.18 -56.75 15.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.798 0.686 . . . . 1.78 110.236 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.56 -59.75 4.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.219 -0.9 . . . . 0.19 112.297 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.4 t -59.34 -39.81 84.34 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.101 0.778 . . . . 0.27 113.101 -171.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 28.3 mmm180 -93.92 -3.49 51.58 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.585 -0.446 . . . . 1.04 112.018 -176.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 65.01 22.31 12.4 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.351 0.596 . . . . 1.27 111.314 172.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.67 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -92.82 -163.18 1.01 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.76 -0.655 . . . . 0.36 109.426 176.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -148.05 45.52 1.08 Allowed 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.524 -1.288 . . . . 1.0 107.524 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.67 HD22 HD13 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -73.9 155.15 39.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.871 -1.513 . . . . 0.34 110.485 -173.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -103.4 155.42 18.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.077 -1.083 . . . . 0.64 108.077 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -47.03 -43.53 7.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 114.02 1.119 . . . . 0.19 114.02 -170.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 45' ' ' MET . 39.5 mt-10 -48.93 -50.98 32.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 118.271 0.487 . . . . 0.82 110.776 -177.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.605 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 4.2 m-20 -58.86 -38.45 78.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.66 111.816 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.628 ' HD1' HD23 ' A' ' 44' ' ' LEU . 54.6 t80 -60.42 -50.11 74.88 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 108.848 -0.797 . . . . 0.23 108.848 175.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.806 ' CD2' HD22 ' A' ' 19' ' ' LEU . 1.6 mt -60.54 -33.14 72.23 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.046 -1.434 . . . . 0.17 109.99 -174.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.571 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 88.9 mtp -64.68 -57.14 9.84 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.704 0.627 . . . . 1.27 110.464 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 28.6 mt -50.24 -56.78 9.68 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.949 -0.569 . . . . 0.14 111.79 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.617 ' HE ' ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -61.44 -43.13 99.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.589 . . . . 2.08 110.747 -177.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.924 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -47.5 -64.67 0.72 Allowed 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.749 -0.66 . . . . 0.47 110.882 172.28 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 5.9 mtt180 -59.24 -43.19 92.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.108 0.48 . . . . 0.69 110.557 -168.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.7 84.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.972 -1.013 . . . . 0.42 111.77 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.721 ' HB3' HD22 ' A' ' 74' ' ' ASN . . . -81.74 -35.99 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.184 0.439 . . . . 0.52 112.184 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.924 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 20.3 mt -71.68 -75.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.517 -0.549 . . . . 0.46 109.517 -176.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.62 1.41 0.02 OUTLIER Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.135 -1.031 . . . . 0.55 113.173 170.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.576 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -81.08 128.68 33.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.342 0.592 . . . . 0.3 111.299 -176.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -108.62 39.53 1.98 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.547 -0.751 . . . . 1.93 111.956 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -70.17 121.29 17.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.547 -0.909 . . . . 0.93 108.547 173.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.655 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.4 p-10 -38.0 -40.62 0.49 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 116.235 1.939 . . . . 0.7 116.235 -170.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.4 p-10 -59.19 -36.4 75.29 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.616 1.098 . . . . 2.31 110.131 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -75.06 -33.97 61.76 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.663 -1.153 . . . . 0.13 111.51 176.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.655 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.0 m -75.26 -35.85 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.011 -0.675 . . . . 0.25 110.275 -176.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -70.3 -31.29 68.56 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.171 -0.468 . . . . 1.71 110.082 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' HB2' HD13 ' A' ' 46' ' ' LEU . 83.7 t80 -62.14 -53.75 50.86 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 108.85 -0.796 . . . . 0.18 108.85 171.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.601 ' HA ' HD22 ' A' ' 67' ' ' ASN . 0.3 OUTLIER -50.41 -60.3 3.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.171 -0.922 . . . . 1.44 111.156 175.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 t -41.87 -51.73 4.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.049 0.843 . . . . 1.3 112.544 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.486 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 5.7 t90 -77.26 -45.41 26.47 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.032 0.382 . . . . 0.23 112.032 -177.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.697 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 41.3 t-105 -76.37 -58.39 3.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.45 -0.341 . . . . 0.39 111.326 -172.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.601 HD22 ' HA ' ' A' ' 63' ' ' ARG . 38.9 m-80 -54.97 -4.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.236 1.199 . . . . 0.38 114.236 172.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -91.23 -20.19 22.2 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.322 -0.551 . . . . 0.85 110.129 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.465 ' HG3' ' H ' ' A' ' 70' ' ' THR . 6.8 ptp180 -112.68 -60.68 1.84 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.927 -0.579 . . . . 1.7 111.622 -178.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.465 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 14.5 m -98.68 -61.3 1.39 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.187 -0.915 . . . . 0.33 112.492 -173.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.615 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.5 mtpt 80.69 9.27 1.16 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 114.422 -1.263 . . . . 1.2 111.454 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.695 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 44.77 -164.64 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 115.052 1.501 . . . . 1.2 115.052 168.53 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.409 ' H ' ' HB2' ' A' ' 72' ' ' MET . . . -147.05 23.33 1.2 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.339 -1.3 . . . . 0.93 109.913 176.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.721 HD22 ' HB3' ' A' ' 51' ' ' ALA . 29.2 t-20 50.34 -70.4 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 113.369 -1.741 . . . . 2.37 112.672 -171.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 73' ' ' ALA . 33.2 t70 -144.21 1.03 1.07 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 123.083 0.553 . . . . 2.38 109.865 -175.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.785 -0.626 . . . . 1.7 111.021 -172.699 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 112.229 -0.348 . . . . 1.46 112.229 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.848 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -87.6 -141.66 0.11 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 120.913 0.387 . . . . 1.21 110.451 -178.241 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.703 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.8 m-85 -144.27 -164.65 1.95 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.292 -0.632 . . . . 0.79 109.292 -174.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -167.71 119.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.786 -0.643 . . . . 1.67 109.802 169.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.512 ' HA2' ' OE1' ' A' ' 41' ' ' GLU . . . 114.68 -45.69 1.27 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.277 -0.963 . . . . 1.39 113.145 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.703 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -80.19 56.48 2.46 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.117 0.784 . . . . 1.85 113.117 -172.618 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.5 28.13 72.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.103 -1.046 . . . . 1.05 111.557 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.618 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -50.9 137.9 8.04 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 N-CA-C 113.818 1.044 . . . . 0.43 113.818 -175.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.29 -9.22 12.84 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 113.769 -1.56 . . . . 0.35 109.24 174.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.848 ' HA ' HG21 ' A' ' 11' ' ' THR . 3.3 tm? 59.29 172.54 0.07 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.208 -0.906 . . . . 1.14 109.601 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.816 ' N ' HD13 ' A' ' 19' ' ' LEU . 7.2 t -60.2 164.51 4.1 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.049 -1.032 . . . . 0.88 110.082 172.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -62.99 -44.26 96.52 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.125 0.787 . . . . 2.15 113.125 -163.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.96 -60.73 2.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.855 0.359 . . . . 2.05 111.866 -172.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.696 ' OE1' ' HD2' ' A' ' 47' ' ' ARG . 5.5 mt-10 -45.79 -35.87 4.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.438 1.273 . . . . 2.01 114.438 -177.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.724 ' CD2' HG21 ' A' ' 40' ' ' VAL . 29.4 t80 -64.56 -58.54 6.08 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.02 -0.425 . . . . 0.22 110.252 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.38 -40.23 64.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.621 0.724 . . . . 1.8 110.936 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.544 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 9.0 mm-40 -68.46 -20.1 64.6 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.596 -0.729 . . . . 1.27 111.983 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.626 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -67.62 -34.05 76.19 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.027 0.442 . . . . 0.16 109.826 172.699 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -59.21 -36.01 74.63 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.671 -0.695 . . . . 2.63 109.207 174.749 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -73.88 -38.65 64.35 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.535 -0.757 . . . . 0.97 110.88 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -50.55 -42.78 55.77 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 110.18 -0.304 . . . . 0.14 110.18 173.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.514 ' ND2' ' HA ' ' A' ' 37' ' ' ASP . 25.9 t-20 -52.65 -50.34 63.39 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.745 0.653 . . . . 1.78 109.928 175.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.36 -61.06 2.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.035 -0.984 . . . . 0.19 112.358 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.407 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 33.9 t -59.13 -37.4 77.16 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.446 0.906 . . . . 0.27 113.446 -169.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.629 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 15.3 mmm180 -93.76 1.8 56.41 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.325 -0.55 . . . . 1.04 111.681 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER 54.73 53.99 9.78 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.208 -0.905 . . . . 1.27 110.433 177.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.663 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -137.37 -175.82 4.19 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.326 -0.99 . . . . 0.36 108.326 -177.561 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.514 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 27.0 t70 -146.46 77.25 1.47 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.766 0.793 . . . . 1.0 109.998 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.663 HD22 HD13 ' A' ' 36' ' ' LEU . 2.1 pt? -106.04 155.47 19.37 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.925 -1.034 . . . . 0.34 110.566 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.5 m -84.63 167.58 16.1 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 114.944 -1.026 . . . . 0.64 108.932 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.724 HG21 ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -63.3 -43.12 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 C-N-CA 120.111 -0.635 . . . . 0.19 110.721 -172.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' OE1' ' HA2' ' A' ' 14' ' ' GLY . 36.2 mt-10 -49.68 -50.11 44.89 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.623 0.577 . . . . 0.82 110.591 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.534 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.3 m-20 -57.23 -38.79 74.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.777 0.288 . . . . 0.66 111.777 177.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.786 ' HD1' HD23 ' A' ' 44' ' ' LEU . 3.7 t80 -62.6 -51.57 66.78 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.107 -0.701 . . . . 0.23 109.107 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.786 HD23 ' HD1' ' A' ' 43' ' ' PHE . 2.9 mt -57.09 -31.87 65.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.519 -1.218 . . . . 0.17 110.165 -176.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.549 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 59.2 mtm -63.11 -58.47 7.15 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.248 0.342 . . . . 1.27 110.505 171.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 16.9 mt -47.47 -55.14 9.67 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.658 -0.701 . . . . 0.14 111.946 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.696 ' HD2' ' OE1' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -64.45 -44.77 90.07 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 116.31 -0.404 . . . . 2.08 110.462 -178.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.936 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -47.0 -64.06 0.88 Allowed 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.981 -0.554 . . . . 0.47 110.252 174.542 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.582 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 23.4 mtt-85 -57.23 -51.05 70.92 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.234 -0.587 . . . . 0.69 110.355 -173.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.28 -59.84 4.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.288 -0.869 . . . . 0.42 111.896 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.535 ' HB1' ' ND2' ' A' ' 74' ' ' ASN . . . -60.09 -31.74 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.016 0.747 . . . . 0.52 113.016 -177.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.936 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -87.22 -69.53 0.68 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.627 -0.429 . . . . 0.46 110.616 -176.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.89 35.43 0.02 OUTLIER Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.428 -0.892 . . . . 0.55 113.191 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.582 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -119.05 141.1 49.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.509 -0.552 . . . . 0.3 109.509 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -120.91 47.3 1.84 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.636 0.606 . . . . 1.93 112.636 -171.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.464 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 15.3 t70 -66.81 126.56 29.41 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.685 -0.857 . . . . 0.93 108.685 168.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.648 ' O ' HG22 ' A' ' 60' ' ' VAL . 7.4 p-10 -45.91 -37.59 6.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 115.146 1.536 . . . . 0.7 115.146 -169.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -63.12 -40.31 97.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 119.356 0.98 . . . . 2.31 109.152 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 62' ' ' PHE . . . -66.17 -32.46 73.91 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.763 -1.562 . . . . 0.13 111.714 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.8 m -76.19 -37.38 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 C-N-CA 119.76 -0.776 . . . . 0.25 109.813 -177.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 24.0 mtpt -64.69 -30.8 71.83 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.378 0.608 . . . . 1.71 109.9 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.486 ' HB2' HD13 ' A' ' 46' ' ' LEU . 89.1 t80 -64.86 -57.71 8.13 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.19 -0.914 . . . . 0.18 108.86 173.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.538 ' HA ' HD22 ' A' ' 67' ' ' ASN . 0.7 OUTLIER -50.68 -61.47 2.18 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.266 -0.879 . . . . 1.44 111.743 178.233 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.471 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 59.0 m -46.63 -42.7 16.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.974 0.731 . . . . 1.3 112.974 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.629 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 6.5 t90 -81.35 -48.85 11.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.038 0.446 . . . . 0.23 111.614 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.544 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 25.8 t-105 -74.62 -24.37 58.85 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.931 -0.577 . . . . 0.39 111.523 -172.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.538 HD22 ' HA ' ' A' ' 63' ' ' ARG . 18.1 m-80 -92.94 -0.13 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.938 0.399 . . . . 0.38 111.7 -176.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -93.86 -15.93 24.56 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.56 0.695 . . . . 0.85 109.203 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.5 ptp180 -114.91 -59.28 2.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.81 -1.086 . . . . 1.7 111.02 -173.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.505 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 22.6 m -102.2 -59.28 1.73 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.477 -1.238 . . . . 0.33 111.794 -174.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.565 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.6 mtpt 72.27 26.79 2.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 114.299 -1.319 . . . . 1.2 109.43 -169.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.629 ' HB2' ' OE2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER 44.59 -165.35 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 113.388 -1.733 . . . . 1.2 115.316 169.564 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.445 ' O ' HG21 ' A' ' 20' ' ' THR . . . -157.07 73.36 0.75 Allowed 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 114.226 -1.352 . . . . 0.93 108.377 -178.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.535 ' ND2' ' HB1' ' A' ' 51' ' ' ALA . 35.9 t-20 -28.6 -55.52 0.12 Allowed 'General case' 0 N--CA 1.475 0.795 0 O-C-N 125.119 1.512 . . . . 2.37 112.615 -170.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -148.77 23.06 0.99 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.446 0.641 . . . . 2.38 109.558 171.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.245 0.844 0 CA-C-N 115.185 -0.916 . . . . 1.7 110.562 -175.337 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 112.072 -0.411 . . . . 1.46 112.072 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.634 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -145.37 -142.64 0.13 Allowed 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.804 -0.813 . . . . 1.21 108.804 176.659 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.614 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-85 -142.77 -167.05 2.42 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.423 -0.584 . . . . 0.79 109.423 -177.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' NE ' ' HB3' ' A' ' 41' ' ' GLU . 27.3 ttt180 -156.53 141.67 17.31 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.499 0.499 . . . . 1.67 110.352 167.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.16 -33.95 2.43 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 121.204 -0.522 . . . . 1.39 113.668 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.614 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -76.95 47.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.364 0.505 . . . . 1.85 112.364 -176.336 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.16 28.95 73.16 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.338 -0.934 . . . . 1.05 111.088 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.535 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -52.67 130.96 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.836 0 CA-C-O 122.281 1.039 . . . . 0.43 113.299 -176.278 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.79 -10.14 14.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 113.364 -1.743 . . . . 0.35 108.735 174.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.036 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.3 tm? 59.89 179.48 0.09 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.998 -1.001 . . . . 1.14 108.467 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.866 ' N ' HD13 ' A' ' 19' ' ' LEU . 10.1 t -64.59 171.45 3.27 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 120.663 -1.273 . . . . 0.88 109.545 170.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -66.59 -40.15 88.77 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 121.602 -0.686 . . . . 2.15 112.732 -167.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -82.01 -64.73 1.12 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.273 0.472 . . . . 2.05 112.273 -169.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 1.036 ' HB2' HD11 ' A' ' 19' ' ' LEU . 55.7 mt-10 -46.67 -32.91 3.84 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.825 1.046 . . . . 2.01 113.825 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.678 ' CE2' HG21 ' A' ' 40' ' ' VAL . 40.2 t80 -64.45 -58.06 7.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.098 0.475 . . . . 0.22 110.119 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -55.36 -41.21 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.517 0.675 . . . . 1.8 110.668 173.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.579 ' HB3' ' CZ2' ' A' ' 66' ' ' TRP . 6.5 mm-40 -66.83 -22.24 66.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.548 -0.751 . . . . 1.27 111.781 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -64.16 -35.7 81.65 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.024 0.44 . . . . 0.16 109.882 173.454 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -61.03 -36.2 78.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.629 -0.714 . . . . 2.63 109.333 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -70.87 -41.94 70.72 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.236 -0.438 . . . . 0.97 110.615 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -49.71 -43.28 47.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.501 -0.318 . . . . 0.14 110.838 174.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.658 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 8.8 t30 -56.03 -46.79 78.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.262 0.553 . . . . 1.78 110.444 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.84 -60.27 2.81 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.089 -0.959 . . . . 0.19 112.028 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.4 t -60.66 -34.66 74.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.456 0.91 . . . . 0.27 113.456 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 23.2 mmm180 -96.82 5.26 50.92 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.973 -0.691 . . . . 1.04 112.78 -175.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.03 56.59 6.87 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.847 -0.615 . . . . 1.27 110.924 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.675 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -140.77 -176.82 4.8 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.766 -0.827 . . . . 0.36 108.766 -177.179 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -139.2 68.57 1.37 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 107.431 -1.322 . . . . 1.0 107.431 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.675 HD22 HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -101.83 144.42 30.52 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.456 -1.247 . . . . 0.34 109.473 -173.043 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 m -85.04 168.63 14.73 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.915 -0.772 . . . . 0.64 108.915 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.687 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -60.3 -43.19 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 120.534 -0.467 . . . . 0.19 110.396 -174.568 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.592 ' O ' ' HG3' ' A' ' 45' ' ' MET . 51.8 mt-10 -44.06 -57.35 3.43 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 123.985 0.803 . . . . 0.82 111.324 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.58 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.1 m-20 -59.29 -35.95 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.66 111.974 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.703 ' HD1' HD23 ' A' ' 44' ' ' LEU . 17.0 t80 -60.85 -55.45 32.92 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.15 -0.685 . . . . 0.23 109.15 173.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.721 HD22 ' HG ' ' A' ' 19' ' ' LEU . 2.7 mt -53.39 -34.49 57.89 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 114.159 -1.382 . . . . 0.17 109.543 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.592 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 87.0 mtp -63.74 -58.58 6.42 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.581 0.551 . . . . 1.27 111.13 174.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 33.2 mt -48.82 -53.07 20.8 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.823 -0.626 . . . . 0.14 111.618 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HD2' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -66.27 -42.43 88.46 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.538 -0.301 . . . . 2.08 110.39 179.125 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.873 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -46.21 -62.74 1.21 Allowed 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.986 -0.552 . . . . 0.47 110.964 174.636 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 17.8 mtt180 -56.92 -45.99 82.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.116 0.484 . . . . 0.69 110.602 -175.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.26 -57.15 14.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.159 -0.928 . . . . 0.42 111.152 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.02 83.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.79 -0.641 . . . . 0.52 112.593 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.873 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 15.4 mt -77.18 -69.06 0.55 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.515 -0.311 . . . . 0.46 110.282 -170.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.31 35.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.124 -1.036 . . . . 0.55 113.453 173.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -114.85 139.7 49.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.081 0.467 . . . . 0.3 110.23 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -119.12 51.23 1.14 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.146 -0.479 . . . . 1.93 112.166 -171.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' O ' HG13 ' A' ' 60' ' ' VAL . 20.6 t70 -74.03 128.73 36.3 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.102 -0.703 . . . . 0.93 109.102 167.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.595 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.1 p-10 -49.39 -31.69 10.07 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 115.437 1.643 . . . . 0.7 115.437 -170.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -64.0 -44.33 92.96 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.579 -0.897 . . . . 2.31 108.579 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.2 -35.86 82.38 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.999 -1.455 . . . . 0.13 111.623 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.595 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.4 m -75.14 -36.85 38.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 119.979 -0.689 . . . . 0.25 110.834 -175.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 80.9 mttt -73.34 -29.35 62.61 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.98 -0.288 . . . . 1.71 110.606 175.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.54 ' HB2' HD13 ' A' ' 46' ' ' LEU . 73.3 t80 -58.64 -54.37 47.84 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.408 -0.96 . . . . 0.18 108.408 168.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.82 -59.49 4.05 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.99 -1.005 . . . . 1.44 111.386 175.111 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -43.12 -54.7 4.26 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.315 0.487 . . . . 1.3 112.315 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.495 ' CE3' ' HB2' ' A' ' 66' ' ' TRP . 7.8 t90 -70.03 -50.74 38.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.426 . . . . 0.23 111.801 -178.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.579 ' CZ2' ' HB3' ' A' ' 26' ' ' GLU . 22.2 t-105 -74.24 -24.58 59.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.225 -0.443 . . . . 0.39 111.857 -171.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 18.7 m-80 -93.83 1.39 56.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.982 0.42 . . . . 0.38 111.742 -176.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -94.14 -16.4 23.78 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.971 -0.752 . . . . 0.85 108.971 172.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.512 ' HG3' ' H ' ' A' ' 70' ' ' THR . 9.3 ptp180 -114.42 -62.64 1.57 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.884 -1.053 . . . . 1.7 111.039 -173.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.512 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 25.9 m -99.31 -57.39 2.17 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.64 -1.163 . . . . 0.33 111.659 -174.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.545 ' C ' ' HG3' ' A' ' 72' ' ' MET . 30.1 mtpt 74.35 21.16 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 113.994 -1.457 . . . . 1.2 110.229 -173.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.576 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 43.74 -164.48 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.113 1.523 . . . . 1.2 115.113 170.441 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.597 ' HB1' ' HB2' ' A' ' 76' ' ' TYR . . . -163.1 79.94 0.47 Allowed 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.448 -1.251 . . . . 0.93 108.504 -173.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -31.96 -56.96 0.3 Allowed 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.978 1.424 . . . . 2.37 112.217 -172.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -149.58 32.9 0.71 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.82 -0.807 . . . . 2.38 108.82 174.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.597 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 91.0 m-85 . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.188 -0.915 . . . . 1.7 110.267 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.279 -0.328 . . . . 1.46 112.279 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.411 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -156.23 -147.24 0.19 Allowed 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.5 -0.926 . . . . 1.21 108.5 177.341 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.64 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 2.1 m-85 -141.67 -167.16 2.37 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.021 -0.363 . . . . 0.79 110.021 -173.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 33.4 ttp-105 -157.94 141.37 15.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 1.67 109.919 168.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.85 -32.84 2.41 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.974 -0.631 . . . . 1.39 113.706 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.64 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -80.05 47.57 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.477 0.547 . . . . 1.85 112.477 -174.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.66 28.42 73.16 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.263 -0.97 . . . . 1.05 111.109 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.566 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -53.14 131.4 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 122.069 0.938 . . . . 0.43 113.079 -177.232 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.09 -9.58 13.53 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 113.619 -1.628 . . . . 0.35 109.429 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.778 HD22 HD22 ' A' ' 44' ' ' LEU . 59.1 tp 54.77 -169.17 0.07 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.327 -0.851 . . . . 1.14 109.317 178.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.602 ' H ' ' HG ' ' A' ' 19' ' ' LEU . 9.0 t -77.06 169.14 18.88 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.802 -1.159 . . . . 0.88 109.719 173.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -58.98 -54.25 49.24 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.809 0.338 . . . . 2.15 111.021 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.59 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 28.7 t70 -68.28 -63.06 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.933 -0.576 . . . . 2.05 111.403 -174.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.436 ' OE2' ' HB2' ' A' ' 72' ' ' MET . 47.5 mt-10 -49.37 -39.7 33.02 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.523 0.934 . . . . 2.01 113.523 -174.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.779 ' CE2' HG21 ' A' ' 40' ' ' VAL . 39.1 t80 -64.83 -54.59 28.63 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.235 0.541 . . . . 0.22 110.023 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.17 -41.36 62.54 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 1.8 111.228 171.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.631 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 13.3 mm-40 -67.75 -24.36 65.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.154 -0.476 . . . . 1.27 111.493 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.596 ' HB2' ' CG ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -62.17 -38.55 89.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.997 0.427 . . . . 0.16 110.02 173.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -62.03 -33.28 74.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.582 -0.735 . . . . 2.63 109.55 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -76.18 -39.11 55.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.97 110.956 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.456 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 11.4 t-160 -49.84 -41.37 44.87 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.355 -0.239 . . . . 0.14 110.355 172.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.434 ' HA ' HD12 ' A' ' 36' ' ' LEU . 26.4 t-20 -55.09 -51.36 66.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.905 -0.589 . . . . 1.78 110.063 175.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.89 -60.95 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.135 -0.939 . . . . 0.19 112.396 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.3 t -57.18 -45.91 83.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.855 0.687 . . . . 0.27 112.855 -172.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -84.75 -4.01 58.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.659 -0.416 . . . . 1.04 111.355 -177.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp 61.07 26.24 16.19 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.828 -0.624 . . . . 1.27 111.387 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.533 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -103.0 -168.36 1.51 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.565 -0.743 . . . . 0.36 110.194 -179.309 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -143.38 105.9 4.45 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 108.991 -0.744 . . . . 1.0 108.991 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 36' ' ' LEU . 1.6 pt? -138.59 160.75 38.83 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.817 -0.629 . . . . 0.34 110.505 -175.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -97.04 175.95 6.13 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.864 -1.062 . . . . 0.64 108.593 171.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.779 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.54 -39.93 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 C-N-CA 120.16 -0.616 . . . . 0.19 110.837 -172.805 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 40.7 mt-10 -49.06 -48.48 44.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.425 0.453 . . . . 0.82 110.725 178.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.497 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.1 m-20 -53.12 -47.33 68.73 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.892 -0.594 . . . . 0.66 111.222 176.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.596 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 39.3 t80 -59.33 -52.08 67.18 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-O 121.487 0.66 . . . . 0.23 109.558 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.778 HD22 HD22 ' A' ' 19' ' ' LEU . 2.5 mt -56.53 -35.15 67.76 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 114.055 -1.43 . . . . 0.17 109.915 -174.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.525 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 78.8 mtm -66.79 -58.55 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.457 0.473 . . . . 1.27 111.643 175.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 62' ' ' PHE . 16.6 mt -49.23 -53.33 22.03 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.459 0.647 . . . . 0.14 110.733 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.518 HH21 ' N ' ' A' ' 75' ' ' ASP . 3.9 ttt180 -58.99 -54.57 45.64 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.787 -1.097 . . . . 2.08 110.647 177.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.882 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.2 m170 -39.57 -62.64 0.66 Allowed 'General case' 0 C--O 1.217 -0.645 0 O-C-N 124.021 0.826 . . . . 0.47 111.689 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.545 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 8.4 mtt180 -57.53 -45.81 84.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.899 0.381 . . . . 0.69 110.442 -171.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.49 -57.04 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 0.42 111.093 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.649 ' HB1' HD22 ' A' ' 74' ' ' ASN . . . -51.1 -45.01 61.37 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.261 0.625 . . . . 0.52 112.368 177.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.882 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.4 mt -83.9 -76.55 0.29 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.238 -0.437 . . . . 0.46 110.648 -172.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.81 14.14 0.02 OUTLIER Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.205 -0.998 . . . . 0.55 113.709 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.545 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -94.01 141.43 28.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.22 0.51 . . . . 0.3 110.855 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -123.2 48.76 1.77 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.458 0.54 . . . . 1.93 112.458 -176.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.33 127.52 33.33 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.657 -0.868 . . . . 0.93 108.657 169.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.622 ' O ' HG22 ' A' ' 60' ' ' VAL . 3.7 p-10 -37.4 -46.63 0.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.793 2.146 . . . . 0.7 116.793 -169.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -59.18 -37.2 76.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.766 1.166 . . . . 2.31 110.104 -176.591 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -72.0 -33.1 67.83 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.172 -1.376 . . . . 0.13 111.863 176.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 57' ' ' ASN . 3.6 m -75.2 -37.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.788 -0.765 . . . . 0.25 110.039 -176.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -65.2 -33.65 76.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.307 0.575 . . . . 1.71 110.062 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.513 ' HB2' HD13 ' A' ' 46' ' ' LEU . 75.2 t80 -62.08 -55.52 28.17 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.386 -0.825 . . . . 0.18 109.331 173.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.474 ' HA ' HD22 ' A' ' 67' ' ' ASN . 0.3 OUTLIER -49.68 -60.65 2.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.235 -0.893 . . . . 1.44 111.075 176.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.1 m -47.68 -35.96 10.37 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.568 0.951 . . . . 1.3 113.568 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.49 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 6.7 t90 -86.24 -48.48 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.179 -0.325 . . . . 0.23 111.577 177.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.64 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 31.1 t-105 -74.03 -22.29 59.62 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 122.695 0.398 . . . . 0.39 111.834 -170.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.474 HD22 ' HA ' ' A' ' 63' ' ' ARG . 22.6 m-80 -96.37 1.06 51.47 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.103 0.477 . . . . 0.38 111.25 -174.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.5 m -92.45 -17.7 24.21 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.529 0.681 . . . . 0.85 109.683 172.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -113.52 -65.75 1.15 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.999 -1.0 . . . . 1.7 110.898 -174.391 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 31.8 m -96.15 -58.75 2.0 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.625 -1.17 . . . . 0.33 112.185 -173.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.61 ' C ' ' HG3' ' A' ' 72' ' ' MET . 23.9 mtmt 72.99 25.9 2.3 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 124.285 0.991 . . . . 1.2 110.748 -171.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.64 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 42.48 -162.97 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.151 1.538 . . . . 1.2 115.151 171.053 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 75' ' ' ASP . . . -156.03 71.49 0.73 Allowed 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.601 -1.182 . . . . 0.93 108.794 -175.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.649 HD22 ' HB1' ' A' ' 51' ' ' ALA . 7.6 m120 -30.55 80.38 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 O-C-N 125.771 1.919 . . . . 2.37 113.136 -173.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.542 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 1.8 p30 44.27 36.43 1.56 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.7 0.8 . . . . 2.38 112.064 -177.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.296 -0.859 . . . . 1.7 110.177 173.316 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 111.902 -0.479 . . . . 1.46 111.902 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.556 HG21 ' CA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -105.13 -150.44 0.43 Allowed 'General case' 0 N--CA 1.44 -0.951 0 CA-C-O 121.207 0.527 . . . . 1.21 110.633 -179.222 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.603 ' HB2' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -138.25 -155.77 0.63 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.449 -0.796 . . . . 0.79 110.203 -171.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' HG3' ' HG3' ' A' ' 45' ' ' MET . 4.7 tmm_? -170.04 138.83 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.062 -1.088 . . . . 1.67 108.062 172.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.438 ' N ' ' HD2' ' A' ' 13' ' ' ARG . . . 89.82 54.61 2.16 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 119.45 -1.357 . . . . 1.39 112.982 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.603 ' HD3' ' HB2' ' A' ' 12' ' ' TYR . 10.0 ptm180 -178.61 24.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.702 0.287 . . . . 1.85 111.276 -174.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.91 28.66 73.88 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.048 -1.072 . . . . 1.05 110.506 -173.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.618 HG21 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -38.36 139.31 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 113.868 1.062 . . . . 0.43 113.868 -179.486 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.51 -13.23 18.74 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.12 -1.4 . . . . 0.35 110.191 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.105 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 61.8 175.15 0.12 Allowed 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.917 0.761 . . . . 1.14 109.028 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.861 ' N ' HD13 ' A' ' 19' ' ' LEU . 9.3 t -65.89 -169.83 0.07 Allowed 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.143 -0.973 . . . . 0.88 109.48 168.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -73.91 -57.33 4.05 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.126 -0.984 . . . . 2.15 112.918 -172.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.2 m-20 -66.87 -64.73 0.79 Allowed 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.976 0.732 . . . . 2.05 112.976 -170.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 1.105 ' HB2' HD11 ' A' ' 19' ' ' LEU . 2.1 mp0 -46.14 -31.94 2.67 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.443 1.275 . . . . 2.01 114.443 -174.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.646 ' CD2' HG21 ' A' ' 40' ' ' VAL . 32.7 t80 -69.05 -52.34 29.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 118.421 0.555 . . . . 0.22 109.541 -178.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.95 -45.98 82.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.66 -0.7 . . . . 1.8 110.346 171.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.622 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.1 mm-40 -67.45 -24.3 65.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.507 -0.769 . . . . 1.27 111.637 -176.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.673 ' CD2' HG23 ' A' ' 40' ' ' VAL . 2.3 t90 -63.76 -37.54 87.74 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.963 0.411 . . . . 0.16 110.241 174.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 64.6 mtm180 -59.2 -37.73 78.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.744 -0.662 . . . . 2.63 109.41 176.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -72.25 -41.16 67.1 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.98 -0.555 . . . . 0.97 110.773 174.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 16.4 t-160 -47.63 -39.52 17.19 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.396 -0.366 . . . . 0.14 110.537 172.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.614 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 31.7 m-80 -58.14 -49.86 75.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 1.78 110.609 176.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.07 -60.67 2.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.472 -0.785 . . . . 0.19 111.537 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -57.6 -32.8 67.55 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.172 0.805 . . . . 0.27 113.172 -172.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.415 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 17.4 mmm180 -101.73 1.14 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.682 -0.407 . . . . 1.04 111.904 -177.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.38 26.76 16.5 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 122.868 0.467 . . . . 1.27 111.695 171.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.614 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -106.49 -167.07 1.25 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.14 0.495 . . . . 0.36 110.162 178.731 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -144.62 42.66 1.36 Allowed 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.953 -1.129 . . . . 1.0 107.953 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.614 HD22 HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -74.39 151.27 39.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.071 -1.422 . . . . 0.34 110.424 -174.78 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.0 m -87.3 169.68 12.09 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.457 -0.572 . . . . 0.64 109.457 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' CD2' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -64.62 -44.81 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 C-N-CA 120.54 -0.464 . . . . 0.19 110.415 -173.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 45' ' ' MET . 10.4 mt-10 -53.22 -46.12 68.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.953 -0.567 . . . . 0.82 110.846 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.1 m-20 -56.32 -42.39 77.58 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.221 -0.192 . . . . 0.66 111.277 174.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.659 ' CE1' ' HB3' ' A' ' 23' ' ' GLU . 2.2 t80 -60.3 -54.2 48.56 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.319 0.581 . . . . 0.23 109.704 175.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.62 HD22 ' HG ' ' A' ' 19' ' ' LEU . 4.3 mt -55.85 -30.09 60.91 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 114.653 -1.158 . . . . 0.17 110.418 -173.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.617 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 73.3 mtm -64.66 -55.64 18.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.796 0.685 . . . . 1.27 110.042 173.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 62' ' ' PHE . 21.4 mt -49.22 -56.15 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.453 -0.794 . . . . 0.14 111.712 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.564 HH11 ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -67.22 -44.26 79.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.505 -0.316 . . . . 2.08 111.113 -179.028 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.885 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -41.88 -62.8 0.83 Allowed 'General case' 0 C--O 1.219 -0.53 0 O-C-N 123.38 0.425 . . . . 0.47 110.475 171.804 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.617 ' HG3' ' O ' ' A' ' 45' ' ' MET . 23.2 mtt-85 -58.27 -43.33 87.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.907 0.384 . . . . 0.69 110.575 -172.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.86 -57.43 12.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 0.42 111.326 178.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.86 82.56 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.583 0.586 . . . . 0.52 112.583 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.885 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 18.5 mt -78.14 -74.75 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.69 -0.232 . . . . 0.46 110.6 -174.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 172.48 14.32 0.02 OUTLIER Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.114 -1.041 . . . . 0.55 113.599 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -95.48 135.21 37.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.232 0.516 . . . . 0.3 110.807 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.69 48.08 1.18 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 1.93 111.348 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.1 128.35 35.29 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.039 -0.726 . . . . 0.93 109.039 172.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.651 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.6 p-10 -39.51 -45.62 1.59 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 116.649 2.092 . . . . 0.7 116.649 -170.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -63.02 -35.69 81.06 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.537 1.062 . . . . 2.31 109.957 -177.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.02 -36.51 72.42 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.511 -1.222 . . . . 0.13 111.544 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.5 m -75.95 -37.9 34.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 119.948 -0.701 . . . . 0.25 110.432 -176.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HE3' ' HB2' ' A' ' 57' ' ' ASN . 81.5 mttt -70.04 -29.98 67.15 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.384 -0.371 . . . . 1.71 110.681 175.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.623 ' HB2' HD13 ' A' ' 46' ' ' LEU . 75.8 t80 -61.71 -55.12 33.72 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.793 -0.817 . . . . 0.18 108.793 169.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.614 ' HA ' HD22 ' A' ' 67' ' ' ASN . 0.3 OUTLIER -48.56 -58.77 4.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.725 -1.125 . . . . 1.44 111.004 176.3 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.9 t -40.41 -47.59 2.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.716 -0.674 . . . . 1.3 112.716 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.566 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.3 t90 -80.53 -47.24 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.902 0.334 . . . . 0.23 111.902 -178.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 44.4 t-105 -79.55 -24.77 41.92 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 111.902 0.334 . . . . 0.39 111.902 -170.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.614 HD22 ' HA ' ' A' ' 63' ' ' ARG . 19.2 m-80 -93.74 -2.51 53.65 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 121.383 0.611 . . . . 0.38 110.729 -176.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -93.43 -15.41 25.64 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.6 0.714 . . . . 0.85 109.158 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 7.7 ptp180 -113.19 -61.59 1.72 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.072 -0.967 . . . . 1.7 110.675 -176.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.523 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 19.6 m -103.71 -60.73 1.52 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.874 -1.057 . . . . 0.33 112.191 -173.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.484 ' C ' ' HG2' ' A' ' 72' ' ' MET . 45.9 mtpt 74.64 26.74 1.39 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.467 -1.242 . . . . 1.2 110.176 -171.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.577 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 13.7 ptt? 46.98 -169.33 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.584 1.177 . . . . 1.2 113.903 172.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -141.25 66.88 1.35 Allowed 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.79 -1.096 . . . . 0.93 108.603 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -11.2 -70.91 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 O-C-N 125.58 1.8 . . . . 2.37 113.729 -171.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -138.56 24.55 2.66 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.196 0.522 . . . . 2.38 109.698 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 C--O 1.245 0.817 0 CA-C-N 115.768 -0.651 . . . . 1.7 110.773 -174.332 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.837 -0.505 . . . . 1.46 111.837 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.706 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -127.96 -157.27 0.8 Allowed 'General case' 0 N--CA 1.438 -1.061 0 CA-C-O 121.788 0.804 . . . . 1.21 110.733 -178.611 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.556 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.5 m-85 -132.6 -162.34 1.22 Allowed 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.16 -1.382 . . . . 0.79 108.579 -177.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' CD ' ' HB3' ' A' ' 41' ' ' GLU . 5.3 tmm_? -166.91 125.66 1.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.986 -0.746 . . . . 1.67 108.986 169.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.699 ' HA2' ' OE2' ' A' ' 41' ' ' GLU . . . 109.39 -43.83 1.63 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.183 -1.008 . . . . 1.39 113.155 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.556 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -77.69 47.64 0.63 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.048 0.759 . . . . 1.85 113.048 -173.279 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 63.42 29.18 73.8 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.346 -0.93 . . . . 1.05 111.249 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.521 HG21 HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -45.29 134.42 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 113.608 0.966 . . . . 0.43 113.608 -177.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.44 -16.77 14.46 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.05 -1.432 . . . . 0.35 109.4 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.089 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.53 173.6 0.14 Allowed 'General case' 0 CA--C 1.544 0.735 0 O-C-N 123.991 0.807 . . . . 1.14 109.195 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.872 ' N ' HD13 ' A' ' 19' ' ' LEU . 3.3 t -62.09 158.56 16.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.782 -1.198 . . . . 0.88 110.106 171.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -57.48 -43.66 84.3 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.397 0.517 . . . . 2.15 112.397 -171.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.13 -64.32 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.384 0.513 . . . . 2.05 112.384 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 1.089 ' HB2' HD11 ' A' ' 19' ' ' LEU . 31.6 mm-40 -50.37 -34.45 24.15 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.324 0.861 . . . . 2.01 113.324 -174.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.751 ' CE2' HG21 ' A' ' 40' ' ' VAL . 31.4 t80 -63.57 -58.23 7.62 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.122 0.487 . . . . 0.22 110.005 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -52.88 -43.97 66.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.312 0.577 . . . . 1.8 110.951 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.592 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 8.9 mm-40 -63.55 -24.92 68.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.782 -0.644 . . . . 1.27 111.703 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.589 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -62.9 -37.56 87.43 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.826 0.346 . . . . 0.16 110.287 174.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 34.4 mtm180 -59.92 -36.63 77.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.734 -0.666 . . . . 2.63 109.499 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -74.37 -37.57 63.43 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.048 -0.524 . . . . 0.97 110.773 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.466 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.4 t-160 -49.71 -39.3 36.51 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.692 -0.231 . . . . 0.14 110.545 172.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.49 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 8.9 m120 -56.21 -51.63 67.37 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.531 0.519 . . . . 1.78 110.183 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.94 -61.3 2.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.171 -0.922 . . . . 0.19 112.227 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.416 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 22.2 t -58.35 -36.51 73.54 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.998 0.74 . . . . 0.27 112.998 -171.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -91.25 -4.72 55.7 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.595 -0.442 . . . . 1.04 111.764 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 55.51 52.52 11.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.147 -0.933 . . . . 1.27 111.045 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.656 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -134.93 -173.14 3.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.454 -0.794 . . . . 0.36 109.311 -176.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.07 105.74 4.69 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.656 HD22 HD13 ' A' ' 36' ' ' LEU . 2.1 pt? -138.8 158.29 44.49 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.535 -0.757 . . . . 0.34 110.179 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.9 m -93.66 173.64 7.58 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.94 -1.027 . . . . 0.64 108.917 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.751 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.06 -44.23 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 C-N-CA 120.028 -0.669 . . . . 0.19 111.013 -169.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.699 ' OE2' ' HA2' ' A' ' 14' ' ' GLY . 16.5 mt-10 -47.63 -49.54 26.89 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.563 0.54 . . . . 0.82 110.463 177.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.479 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 39.6 m-20 -57.77 -40.09 79.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.987 -0.551 . . . . 0.66 111.063 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.731 ' HD1' HD23 ' A' ' 44' ' ' LEU . 12.7 t80 -62.06 -53.63 52.71 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.395 0.617 . . . . 0.23 109.539 175.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.778 HD22 ' HG ' ' A' ' 19' ' ' LEU . 2.7 mt -57.0 -29.81 63.62 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 114.477 -1.238 . . . . 0.17 109.937 -175.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 94.7 mtp -62.64 -57.18 11.98 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.477 0.486 . . . . 1.27 110.062 173.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.496 HD13 ' HB2' ' A' ' 62' ' ' PHE . 23.3 mt -52.12 -54.67 27.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.327 -0.851 . . . . 0.14 111.746 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.543 HH11 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -63.2 -45.75 90.26 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.769 -0.372 . . . . 2.08 110.637 -179.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.919 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -45.33 -62.39 1.29 Allowed 'General case' 0 C--O 1.216 -0.672 0 O-C-N 123.587 0.554 . . . . 0.47 111.299 174.341 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 4.2 mtt180 -53.88 -49.68 67.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.625 -0.43 . . . . 0.69 110.743 -172.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.89 -54.75 43.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.781 -0.645 . . . . 0.42 111.038 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.54 -36.68 69.52 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.054 0.761 . . . . 0.52 113.054 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.919 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.2 mt -88.64 -65.2 1.04 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.574 -0.285 . . . . 0.46 110.51 -173.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.44 17.63 0.02 OUTLIER Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.189 -1.005 . . . . 0.55 113.537 171.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.539 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -99.72 135.16 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.133 0.492 . . . . 0.3 111.074 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.37 52.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.438 0.637 . . . . 1.93 111.142 -176.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.98 129.44 38.12 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.193 -0.912 . . . . 0.93 109.388 170.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.663 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.6 p-10 -40.93 -43.77 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 115.434 1.642 . . . . 0.7 115.434 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' C ' HD22 ' A' ' 46' ' ' LEU . 4.5 m-20 -61.76 -38.61 88.63 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.067 0.849 . . . . 2.31 109.804 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.33 -34.0 67.74 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.161 -1.381 . . . . 0.13 111.746 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.663 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.3 m -78.3 -35.84 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 119.558 -0.857 . . . . 0.25 110.389 -177.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -72.06 -21.07 61.57 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.212 0.529 . . . . 1.71 110.295 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.496 ' HB2' HD13 ' A' ' 46' ' ' LEU . 72.0 t80 -70.55 -55.67 8.34 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.63 -0.878 . . . . 0.18 108.63 168.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -48.66 -61.75 1.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.122 -0.945 . . . . 1.44 111.464 177.32 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 43.0 p -43.55 -56.66 3.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.842 0.714 . . . . 1.3 112.353 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.466 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 10.1 t90 -64.9 -51.73 60.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.411 -0.359 . . . . 0.23 111.672 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 11.2 t-105 -69.27 -24.46 63.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.593 -0.276 . . . . 0.39 111.147 -171.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 71' ' ' LYS . 22.0 m-80 -96.21 2.96 53.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.258 0.552 . . . . 0.38 111.119 -175.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.3 m -93.38 -18.91 21.85 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.891 0.853 . . . . 0.85 109.241 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.73 -67.46 1.0 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.657 -1.156 . . . . 1.7 111.039 -175.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.0 m -93.13 -58.64 2.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.602 -1.181 . . . . 0.33 111.796 -174.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.574 ' C ' ' HG3' ' A' ' 72' ' ' MET . 45.9 mtpt 73.72 22.94 2.44 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 114.563 -1.199 . . . . 1.2 109.661 -172.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.574 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 42.86 -167.5 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 113.857 -1.519 . . . . 1.2 115.096 172.801 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -130.45 23.06 5.13 Favored 'General case' 0 CA--C 1.494 -1.174 0 CA-C-N 113.788 -1.551 . . . . 0.93 109.075 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 49.96 -80.49 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.114 -1.857 . . . . 2.37 110.732 -172.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -148.79 23.83 0.97 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.619 -0.512 . . . . 2.38 109.619 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.227 -0.892 . . . . 1.7 110.469 -178.641 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 111.895 -0.482 . . . . 1.46 111.895 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.625 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -145.2 -147.76 0.22 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 109.625 -0.509 . . . . 1.21 109.625 179.719 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.536 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.0 m-85 -140.27 -165.31 1.88 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.003 -0.544 . . . . 0.79 109.899 -176.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 9.6 ttp180 -158.52 139.85 13.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.575 -0.739 . . . . 1.67 110.155 169.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.17 -30.97 2.92 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.94 -0.648 . . . . 1.39 113.889 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.536 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -78.55 47.5 0.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.341 0.497 . . . . 1.85 112.341 -176.174 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.73 29.09 74.31 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.319 -0.943 . . . . 1.05 110.913 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.509 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -49.51 129.0 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 N-CA-C 113.39 0.885 . . . . 0.43 113.39 -175.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.1 -15.66 15.02 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.076 -1.42 . . . . 0.35 108.875 174.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.856 HD11 ' HB3' ' A' ' 23' ' ' GLU . 3.4 tm? 61.65 170.12 0.11 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.005 -0.998 . . . . 1.14 109.283 175.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.845 ' N ' HD13 ' A' ' 19' ' ' LEU . 9.0 t -58.47 162.38 3.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 120.938 -1.101 . . . . 0.88 110.002 172.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -63.72 -53.56 49.22 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.066 0.395 . . . . 2.15 112.066 -167.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.7 m-20 -64.15 -64.14 0.96 Allowed 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.465 -0.334 . . . . 2.05 111.455 -175.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.856 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -44.29 -41.07 5.69 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.438 0.903 . . . . 2.01 113.438 -176.242 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.7 ' CE2' HG21 ' A' ' 40' ' ' VAL . 45.7 t80 -67.34 -49.82 62.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.412 0.625 . . . . 0.22 110.276 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -58.09 -42.99 86.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.365 -0.834 . . . . 1.8 109.661 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.61 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.8 mm-40 -70.64 -21.73 62.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.099 -0.955 . . . . 1.27 111.301 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CD2' HG23 ' A' ' 40' ' ' VAL . 2.3 t90 -63.12 -38.11 89.89 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.195 0.521 . . . . 0.16 109.835 173.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -60.95 -36.95 80.71 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.292 -0.867 . . . . 2.63 109.567 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -74.1 -37.08 64.26 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.02 -0.537 . . . . 0.97 110.737 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.5 t-160 -52.66 -40.94 63.34 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.402 -0.363 . . . . 0.14 110.117 173.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.618 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 8.9 t30 -54.78 -50.7 67.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.761 -0.654 . . . . 1.78 110.383 175.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.56 -59.79 3.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.387 -0.824 . . . . 0.19 112.077 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.413 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 33.1 t -62.12 -28.56 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.841 0.682 . . . . 0.27 112.841 -171.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -101.11 1.88 39.71 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.92 -0.488 . . . . 1.04 111.561 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 57.93 27.19 14.32 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.204 0.602 . . . . 1.27 111.591 172.417 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.714 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -106.12 -171.69 1.95 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.693 -0.685 . . . . 0.36 109.542 178.177 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -140.63 53.14 1.61 Allowed 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.714 HD22 HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -85.09 149.37 25.6 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.34 -1.3 . . . . 0.34 110.272 -172.694 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.2 m -88.68 169.99 11.19 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.252 -0.647 . . . . 0.64 109.252 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.777 HG22 HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -64.17 -41.46 92.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 120.579 -0.448 . . . . 0.19 110.969 -170.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' O ' ' HG3' ' A' ' 45' ' ' MET . 46.1 mt-10 -47.08 -54.84 9.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.739 0.65 . . . . 0.82 111.225 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.619 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 1.6 m-20 -54.25 -43.49 70.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.37 -0.377 . . . . 0.66 111.855 176.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.75 ' HD1' HD23 ' A' ' 44' ' ' LEU . 13.3 t80 -59.16 -52.84 63.97 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.274 0.559 . . . . 0.23 109.698 177.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.824 HD22 ' HG ' ' A' ' 19' ' ' LEU . 2.7 mt -54.64 -34.99 63.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.504 -1.226 . . . . 0.17 109.744 -177.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.598 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 79.5 mtp -64.35 -57.47 9.27 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.325 0.391 . . . . 1.27 110.608 173.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 21.7 mt -46.88 -54.62 9.57 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.729 -0.669 . . . . 0.14 111.752 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.584 HH11 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.85 -42.7 90.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.178 -0.465 . . . . 2.08 110.341 -178.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.905 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.4 m170 -48.3 -65.23 0.6 Allowed 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.402 -0.817 . . . . 0.47 110.655 173.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 45' ' ' MET . 4.5 mtt180 -57.2 -47.9 80.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.36 0.6 . . . . 0.69 110.042 -173.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.26 -57.58 9.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.212 -1.358 . . . . 0.42 112.187 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.06 -31.09 55.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 112.956 0.725 . . . . 0.52 112.956 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.905 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 22.7 mt -76.3 -74.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.135 -0.626 . . . . 0.46 110.087 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.97 35.71 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.325 -0.941 . . . . 0.55 112.825 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -119.69 138.92 52.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.464 -0.569 . . . . 0.3 109.464 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -124.6 49.99 1.76 Allowed 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.574 -0.451 . . . . 1.93 111.888 -172.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -72.47 134.55 45.38 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.557 -0.905 . . . . 0.93 108.557 170.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.0 p-10 -46.2 -39.28 9.52 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 115.623 1.712 . . . . 0.7 115.623 -168.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.5 p30 -61.34 -42.75 99.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.521 1.055 . . . . 2.31 109.416 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 49' ' ' ARG . . . -67.57 -32.49 73.29 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.262 -1.336 . . . . 0.13 111.983 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.44 HG22 ' HA ' ' A' ' 57' ' ' ASN . 1.7 m -79.03 -36.56 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 119.411 -0.915 . . . . 0.25 110.133 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -71.67 -20.65 61.91 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.224 0.535 . . . . 1.71 109.941 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.592 ' HB2' HD13 ' A' ' 46' ' ' LEU . 88.6 t80 -71.69 -57.37 4.43 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.554 -0.906 . . . . 0.18 108.554 167.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.2 tmt_? -47.41 -62.23 1.53 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.127 -0.942 . . . . 1.44 111.839 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.471 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 7.7 p -45.39 -57.04 4.35 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 123.546 0.529 . . . . 1.3 112.375 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.485 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 10.7 t90 -61.06 -51.46 69.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.62 0.248 . . . . 0.23 111.563 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.61 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 12.0 t-105 -72.05 -26.16 62.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.308 -0.406 . . . . 0.39 111.616 -172.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 16.8 m-80 -93.52 2.65 56.35 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.201 0.524 . . . . 0.38 111.183 -175.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 55.3 m -93.49 -18.14 22.63 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.693 0.758 . . . . 0.85 109.5 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -114.73 -67.78 0.97 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.775 -1.102 . . . . 1.7 110.684 -174.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 m -92.11 -58.74 2.3 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.535 -1.211 . . . . 0.33 112.007 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.598 ' C ' ' HG3' ' A' ' 72' ' ' MET . 44.0 mtpt 74.72 21.94 2.07 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 114.444 -1.253 . . . . 1.2 110.166 -172.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.598 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 42.52 -164.14 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 O-C-N 124.945 1.403 . . . . 1.2 114.395 172.792 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.3 33.24 0.58 Allowed 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 114.724 -1.125 . . . . 0.93 110.166 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 43.66 -89.93 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.451 -1.25 . . . . 2.37 111.393 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -138.28 31.21 2.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.092 -0.336 . . . . 2.38 110.092 175.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.471 -0.776 . . . . 1.7 110.508 -178.626 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.844 -0.503 . . . . 1.46 111.844 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.623 HG21 ' HA ' ' A' ' 19' ' ' LEU . 4.5 m -104.18 61.83 0.73 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.696 0.628 . . . . 1.21 112.696 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.566 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 0.9 OUTLIER 50.72 -165.6 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.082 0.771 . . . . 0.79 113.082 169.587 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HA ' HG11 ' A' ' 17' ' ' VAL . 14.1 ttp180 -171.5 136.62 1.0 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.35 -0.841 . . . . 1.67 109.806 168.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.82 -28.11 2.87 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.871 -0.68 . . . . 1.39 113.907 174.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.587 ' O ' ' HD3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -80.67 51.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.328 0.585 . . . . 1.85 111.791 -177.502 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.94 28.23 73.21 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.302 -0.952 . . . . 1.05 111.117 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.527 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 1.2 m -56.05 129.83 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.876 0 CA-C-O 122.356 1.074 . . . . 0.43 113.345 -174.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.02 -9.49 15.08 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 113.164 -1.834 . . . . 0.35 108.327 172.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.974 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.01 172.09 0.13 Allowed 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.819 -1.082 . . . . 1.14 109.088 175.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.839 ' N ' HD13 ' A' ' 19' ' ' LEU . 8.1 t -61.08 169.29 2.08 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.041 -1.037 . . . . 0.88 109.866 172.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.58 -55.88 20.27 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 113.293 0.849 . . . . 2.15 113.293 -165.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.6 -56.47 4.79 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 121.097 -0.241 . . . . 2.05 111.639 -171.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.974 ' HB2' HD11 ' A' ' 19' ' ' LEU . 32.6 mm-40 -45.92 -38.97 8.14 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.934 1.087 . . . . 2.01 113.934 -176.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.753 ' CE2' HG21 ' A' ' 40' ' ' VAL . 40.6 t80 -64.22 -57.64 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.116 0.484 . . . . 0.22 110.175 -178.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.94 -41.74 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.816 -0.629 . . . . 1.8 110.741 171.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.598 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 7.0 mm-40 -72.24 -18.51 61.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.752 -0.658 . . . . 1.27 112.229 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.662 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -65.28 -35.44 81.04 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.648 -0.501 . . . . 0.16 109.648 172.34 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 31' ' ' ASN . 47.6 mtm180 -65.15 -31.67 72.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.575 -0.739 . . . . 2.63 109.473 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -77.21 -35.44 55.62 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.676 -0.41 . . . . 0.97 110.685 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.412 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 11.7 t-160 -53.12 -40.08 63.93 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.617 -0.512 . . . . 0.14 109.617 172.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.699 ' ND2' ' HA ' ' A' ' 37' ' ' ASP . 24.2 t-20 -51.61 -53.13 41.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.524 -0.762 . . . . 1.78 109.997 172.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.11 -60.72 2.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.033 -0.985 . . . . 0.19 112.345 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.411 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 35.0 t -60.5 -32.33 71.34 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.68 0.622 . . . . 0.27 112.68 -170.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -96.42 -0.33 49.38 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.668 -0.413 . . . . 1.04 111.69 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 61.51 21.86 12.41 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.047 -0.524 . . . . 1.27 111.668 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.637 HD13 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -102.48 -168.46 1.53 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.145 -0.687 . . . . 0.36 109.145 176.466 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.699 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 24.3 t70 -148.06 47.44 1.07 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.025 -1.102 . . . . 1.0 108.025 177.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.637 HD22 HD13 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -71.49 152.8 42.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.6 -1.636 . . . . 0.34 110.787 -175.513 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 m -86.18 168.53 13.9 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.806 -0.442 . . . . 0.64 109.806 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.753 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.04 -45.03 97.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.604 -0.438 . . . . 0.19 111.372 -172.341 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' A' ' 45' ' ' MET . 40.1 mt-10 -48.62 -49.97 34.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.678 0.611 . . . . 0.82 110.382 -179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.627 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 19.2 m-20 -54.28 -44.91 72.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.551 . . . . 0.66 111.524 176.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.67 ' HD1' HD23 ' A' ' 44' ' ' LEU . 18.0 t80 -60.2 -52.96 63.08 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.318 0.58 . . . . 0.23 109.665 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.72 HD22 ' HG ' ' A' ' 19' ' ' LEU . 2.6 mt -56.19 -33.76 65.59 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.517 -1.219 . . . . 0.17 109.8 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 92.6 mtp -65.35 -57.57 8.05 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.389 0.431 . . . . 1.27 110.841 173.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 21.8 mt -47.1 -51.02 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 0.14 111.473 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.883 ' NH2' ' HA ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -72.06 -40.19 68.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.997 -0.547 . . . . 2.08 110.675 -179.175 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.879 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -46.77 -63.48 1.01 Allowed 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 123.288 0.635 . . . . 0.47 110.774 173.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.537 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 7.0 mtt180 -55.38 -51.03 68.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.069 0.462 . . . . 0.69 110.619 -173.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.45 -53.4 54.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.811 -1.086 . . . . 0.42 111.2 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.559 ' HB1' ' ND2' ' A' ' 74' ' ' ASN . . . -63.22 -41.37 99.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.121 0.786 . . . . 0.52 113.121 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.879 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 13.9 mt -83.63 -70.65 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.996 -0.282 . . . . 0.46 110.46 -172.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.85 33.73 0.02 OUTLIER Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.238 -0.982 . . . . 0.55 113.24 174.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.537 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -114.16 139.76 49.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.478 -0.425 . . . . 0.3 110.185 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -119.7 46.7 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.305 0.483 . . . . 1.93 112.305 -171.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 60' ' ' VAL . 12.6 t70 -75.27 134.28 41.13 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.539 -0.541 . . . . 0.93 109.539 171.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.493 ' HA ' HG22 ' A' ' 60' ' ' VAL . 3.4 p-10 -43.26 -42.94 4.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 115.819 1.785 . . . . 0.7 115.819 -170.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' C ' HD22 ' A' ' 46' ' ' LEU . 9.4 p30 -63.15 -37.9 89.04 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.554 -0.858 . . . . 2.31 109.57 -176.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -70.03 -35.33 74.24 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.067 -1.424 . . . . 0.13 111.981 175.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 57' ' ' ASN . 2.2 m -76.96 -35.94 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 119.681 -0.808 . . . . 0.25 110.206 -176.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HA ' ' OG ' ' A' ' 64' ' ' SER . 32.9 mtpt -74.27 -20.08 60.27 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.252 0.548 . . . . 1.71 110.375 175.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CB ' ' HB3' ' A' ' 46' ' ' LEU . 78.2 t80 -70.82 -52.87 17.72 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.691 -0.855 . . . . 0.18 108.691 168.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -50.35 -60.79 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.273 -0.876 . . . . 1.44 111.218 177.352 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' A' ' 61' ' ' LYS . 29.2 p -46.89 -44.67 19.85 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.679 0.622 . . . . 1.3 112.679 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.488 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 22.1 t90 -73.15 -54.92 7.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.602 0.239 . . . . 0.23 111.434 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.598 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 10.8 t-105 -70.04 -25.64 63.65 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 122.897 0.479 . . . . 0.39 111.471 -170.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.497 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 26.1 m-80 -94.53 0.3 55.16 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.061 0.458 . . . . 0.38 111.807 -174.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.3 m -92.44 -16.16 26.24 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.949 0.881 . . . . 0.85 109.306 174.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -65.83 1.15 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.211 -1.359 . . . . 1.7 110.669 -175.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.9 m -94.94 -61.07 1.55 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.761 -1.109 . . . . 0.33 112.214 -174.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.525 ' C ' ' HG3' ' A' ' 72' ' ' MET . 34.6 mtpt 77.68 29.0 0.53 Allowed 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 114.265 -1.334 . . . . 1.2 109.787 -172.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.586 ' HB3' ' OE1' ' A' ' 23' ' ' GLU . 0.0 OUTLIER 49.46 -167.17 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 113.626 -1.624 . . . . 1.2 115.117 173.482 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.22 53.81 0.56 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 111.578 -2.555 . . . . 0.93 107.567 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.883 ' HA ' ' NH2' ' A' ' 47' ' ' ARG . 3.8 m-20 -4.96 -77.17 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 O-C-N 125.731 1.895 . . . . 2.37 114.422 -172.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.02 32.32 3.2 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.896 -0.409 . . . . 2.38 109.896 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.699 -0.667 . . . . 1.7 110.735 -178.73 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 111.696 -0.561 . . . . 1.46 111.696 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.645 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -136.36 -143.81 0.19 Allowed 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.262 -0.644 . . . . 1.21 109.262 -179.586 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.603 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.2 m-85 -138.41 -169.97 2.71 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.702 -0.481 . . . . 0.79 109.702 -178.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' NE ' ' HB3' ' A' ' 41' ' ' GLU . 12.8 ttt180 -151.44 146.4 25.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 1.67 109.722 164.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.433 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 80.28 -31.78 2.34 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.147 -0.549 . . . . 1.39 114.254 173.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.603 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -79.23 47.24 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.31 0.485 . . . . 1.85 112.31 -175.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.31 29.74 75.44 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.355 -0.926 . . . . 1.05 110.903 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -50.16 127.24 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 N-CA-C 113.633 0.975 . . . . 0.43 113.633 -174.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.53 -14.59 15.24 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 113.643 -1.617 . . . . 0.35 108.748 174.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.992 HD11 ' HB2' ' A' ' 23' ' ' GLU . 3.4 tm? 62.72 176.14 0.14 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.01 -0.996 . . . . 1.14 108.923 175.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.873 ' N ' HD13 ' A' ' 19' ' ' LEU . 13.3 t -62.43 174.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 120.969 -1.082 . . . . 0.88 109.883 171.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.5 -57.16 7.91 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.527 0.566 . . . . 2.15 112.527 -168.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.43 -63.42 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.881 0.326 . . . . 2.05 111.881 -174.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.992 ' HB2' HD11 ' A' ' 19' ' ' LEU . 14.8 mm-40 -46.24 -36.63 6.31 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.325 1.231 . . . . 2.01 114.325 -171.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.78 ' CE2' HG21 ' A' ' 40' ' ' VAL . 25.1 t80 -64.55 -53.56 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.795 0.807 . . . . 0.22 109.274 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -59.13 -39.09 81.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.845 -1.07 . . . . 1.8 110.559 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.543 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 12.1 mm-40 -71.17 -19.08 62.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.502 -0.772 . . . . 1.27 111.519 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.1 t90 -66.2 -36.62 83.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.741 -0.466 . . . . 0.16 109.741 172.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.76 -40.64 80.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.474 -0.785 . . . . 2.63 109.423 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.24 -41.11 70.57 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.984 -0.553 . . . . 0.97 110.767 174.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -50.09 -42.02 49.38 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.483 -0.326 . . . . 0.14 110.297 174.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.638 ' OD1' ' HA ' ' A' ' 37' ' ' ASP . 9.5 t30 -55.75 -47.83 76.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.557 -0.747 . . . . 1.78 110.547 176.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.49 -59.67 3.19 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.225 -0.898 . . . . 0.19 111.824 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.5 t -60.49 -35.41 75.84 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.243 0.831 . . . . 0.27 113.243 -171.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.526 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 25.3 mmm180 -94.0 3.98 54.57 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.418 -0.513 . . . . 1.04 111.717 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 56.75 30.78 18.26 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.813 -0.63 . . . . 1.27 111.728 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.654 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -110.53 -168.48 1.32 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.644 -0.707 . . . . 0.36 109.454 176.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.638 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 14.5 t70 -145.74 59.0 1.25 Allowed 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.868 -1.16 . . . . 1.0 107.868 177.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.654 HD22 HD13 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -87.96 150.39 23.48 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.297 -1.32 . . . . 0.34 110.035 -173.514 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.9 m -86.34 168.66 13.65 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.863 -0.335 . . . . 0.64 110.129 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.78 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.34 -44.45 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 C-N-CA 120.963 -0.295 . . . . 0.19 110.944 -173.308 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.495 ' HB3' ' NE ' ' A' ' 13' ' ' ARG . 48.1 mt-10 -46.93 -53.11 12.98 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 123.888 0.742 . . . . 0.82 110.83 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.562 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 5.1 m-20 -52.75 -47.29 67.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.596 -0.729 . . . . 0.66 111.379 176.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.721 ' HD1' HD23 ' A' ' 44' ' ' LEU . 13.0 t80 -58.25 -54.36 47.88 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.209 0.528 . . . . 0.23 109.974 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.794 HD22 ' HG ' ' A' ' 19' ' ' LEU . 3.1 mt -53.16 -35.57 59.91 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 114.534 -1.212 . . . . 0.17 109.96 -176.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.565 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 68.6 mtm -68.22 -52.89 29.09 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.422 0.451 . . . . 1.27 110.75 175.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 29.3 mt -48.41 -54.2 14.9 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.301 -0.409 . . . . 0.14 111.503 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.605 HH11 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -66.01 -43.13 88.59 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 116.224 -0.444 . . . . 2.08 110.462 -179.455 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.851 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.4 m170 -45.3 -62.7 1.16 Allowed 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.757 -0.656 . . . . 0.47 111.191 173.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 45' ' ' MET . 2.3 mtt180 -58.86 -45.98 88.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.161 0.505 . . . . 0.69 110.888 -174.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.28 -56.84 16.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.05 -0.977 . . . . 0.42 111.044 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.452 ' HB1' ' ND2' ' A' ' 74' ' ' ASN . . . -59.29 -49.16 78.91 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.51 0.559 . . . . 0.52 112.51 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.851 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.3 mt -77.83 -71.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.053 -0.259 . . . . 0.46 110.508 -171.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.5 46.65 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.049 -1.072 . . . . 0.55 113.283 174.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.516 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -124.14 141.17 52.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.733 -0.469 . . . . 0.3 109.733 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -116.78 43.34 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.516 0.562 . . . . 1.93 112.516 -171.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -66.58 127.46 32.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.976 -0.75 . . . . 0.93 108.976 169.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.593 ' HA ' HG22 ' A' ' 60' ' ' VAL . 4.4 p-10 -47.62 -34.89 8.51 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 115.412 1.634 . . . . 0.7 115.412 -170.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.69 -41.56 98.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 119.146 0.884 . . . . 2.31 108.93 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.03 75.71 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.996 -1.456 . . . . 0.13 111.99 176.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.593 HG22 ' HA ' ' A' ' 57' ' ' ASN . 3.1 m -75.48 -36.46 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 119.642 -0.823 . . . . 0.25 110.14 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HA ' ' OG ' ' A' ' 64' ' ' SER . 17.0 mtpp -72.67 -23.46 60.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 116.08 -0.509 . . . . 1.71 110.608 175.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.442 ' HB2' HD13 ' A' ' 46' ' ' LEU . 84.6 t80 -67.6 -55.4 13.53 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.421 -0.955 . . . . 0.18 108.421 169.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.65 -60.99 2.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.838 -1.074 . . . . 1.44 111.851 177.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.42 ' OG ' ' HA ' ' A' ' 61' ' ' LYS . 15.6 p -45.92 -47.4 16.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.75 0.648 . . . . 1.3 112.75 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.601 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.6 t90 -73.19 -50.2 23.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.457 -0.338 . . . . 0.23 111.556 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.543 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 11.3 t-105 -73.61 -25.82 60.5 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.589 0.356 . . . . 0.39 111.588 -172.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 20.2 m-80 -92.12 -1.79 56.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.921 0.391 . . . . 0.38 111.566 -176.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -94.54 -15.55 24.03 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 121.62 0.724 . . . . 0.85 109.265 174.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.1 ptp180 -114.25 -59.93 1.95 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.081 -0.963 . . . . 1.7 111.158 -174.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.483 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 10.7 m -105.04 -59.26 1.77 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.557 -1.201 . . . . 0.33 112.019 -172.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.533 ' C ' ' HG3' ' A' ' 72' ' ' MET . 49.2 mtpt 75.72 26.4 1.08 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 114.519 -1.219 . . . . 1.2 109.642 -173.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.533 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 49.07 -167.7 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 113.418 -1.719 . . . . 1.2 115.057 172.823 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.02 46.19 1.25 Allowed 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 111.189 -2.732 . . . . 0.93 106.997 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.452 ' ND2' ' HB1' ' A' ' 51' ' ' ALA . 2.6 m-20 6.73 -85.34 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 126.163 2.164 . . . . 2.37 113.267 -171.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -136.97 34.94 2.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.312 -0.625 . . . . 2.38 109.312 173.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.507 -0.758 . . . . 1.7 110.963 -176.596 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.461 -0.656 . . . . 1.46 111.461 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.591 HG21 ' HA ' ' A' ' 19' ' ' LEU . 3.7 m -80.24 58.01 2.92 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.883 0.697 . . . . 1.21 112.883 -175.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.591 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 0.9 OUTLIER 51.32 -170.95 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.504 1.298 . . . . 0.79 114.504 165.624 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HG2' ' N ' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -167.76 141.89 3.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.088 -1.414 . . . . 1.67 109.329 163.507 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.506 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 79.81 -28.7 2.45 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 120.973 -0.632 . . . . 1.39 114.055 173.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.565 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -77.89 47.14 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.143 0.497 . . . . 1.85 111.944 -177.368 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.44 31.63 77.25 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.694 -0.963 . . . . 1.05 110.694 -175.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.591 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -53.1 128.91 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 CA-C-O 122.176 0.988 . . . . 0.43 113.104 -176.806 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.89 -11.27 14.69 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 113.342 -1.753 . . . . 0.35 108.672 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.866 HD13 ' N ' ' A' ' 20' ' ' THR . 3.5 tm? 61.29 171.34 0.11 Allowed 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.736 -1.12 . . . . 1.14 109.143 175.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.866 ' N ' HD13 ' A' ' 19' ' ' LEU . 9.0 t -64.05 178.29 0.68 Allowed 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.762 -1.211 . . . . 0.88 110.386 172.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.51 -57.3 7.61 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.95 0.722 . . . . 2.15 112.95 -168.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.58 -60.18 2.41 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 111.81 0.3 . . . . 2.05 111.81 -171.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.797 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -45.61 -39.58 7.87 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.208 1.188 . . . . 2.01 114.208 -175.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.754 ' CE2' HG21 ' A' ' 40' ' ' VAL . 35.7 t80 -66.89 -56.06 11.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.356 0.526 . . . . 0.22 110.203 -177.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -52.74 -38.92 61.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.603 0.716 . . . . 1.8 110.888 171.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.646 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 10.1 mm-40 -74.97 -20.82 59.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.838 -0.619 . . . . 1.27 111.938 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.645 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.72 -35.68 81.84 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.488 -0.56 . . . . 0.16 109.488 173.437 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 17.6 mtm180 -60.84 -40.41 92.76 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.328 -0.851 . . . . 2.63 108.73 176.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.37 -37.29 74.55 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.185 -0.461 . . . . 0.97 110.906 174.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 16.1 t-160 -51.24 -41.15 60.14 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.286 -0.265 . . . . 0.14 110.286 174.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.532 ' HA ' HD12 ' A' ' 36' ' ' LEU . 30.8 m-80 -55.5 -50.17 70.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.164 0.507 . . . . 1.78 110.299 175.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.88 -60.57 2.91 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.394 -0.821 . . . . 0.19 111.903 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -61.22 -37.86 84.56 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.88 0.696 . . . . 0.27 112.88 -171.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -93.26 0.5 57.05 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.39 -0.524 . . . . 1.04 111.614 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 59.79 27.96 17.35 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.373 0.606 . . . . 1.27 111.926 171.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.71 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -108.09 -170.45 1.69 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.455 -0.793 . . . . 0.36 109.649 176.184 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -141.64 49.15 1.61 Allowed 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 107.919 -1.141 . . . . 1.0 107.919 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.71 HD22 HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -80.17 149.62 30.45 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 113.976 -1.465 . . . . 0.34 110.513 -173.023 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 m -84.89 168.57 14.92 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.333 -0.618 . . . . 0.64 109.333 177.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.754 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.48 -44.33 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 C-N-CA 120.589 -0.444 . . . . 0.19 110.515 -175.154 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 44.9 mt-10 -49.06 -49.71 40.1 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 123.644 0.59 . . . . 0.82 110.8 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.557 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 39.2 m-20 -54.55 -44.83 73.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.49 . . . . 0.66 110.982 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.587 ' HD1' HD23 ' A' ' 44' ' ' LEU . 4.3 t80 -60.12 -54.25 48.11 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.192 0.52 . . . . 0.23 109.699 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.683 HD21 HG22 ' A' ' 40' ' ' VAL . 3.1 mt -55.1 -30.8 60.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.618 -1.174 . . . . 0.17 110.214 -175.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.552 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 73.3 mtm -71.4 -56.64 5.57 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.643 0.589 . . . . 1.27 111.713 173.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 22.8 mt -48.56 -52.5 22.44 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.438 0.637 . . . . 0.14 110.398 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.504 HH22 ' HA ' ' A' ' 75' ' ' ASP . 9.3 ttt180 -56.34 -56.84 16.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.709 -1.132 . . . . 2.08 110.594 175.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.866 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.06 -62.34 0.65 Allowed 'General case' 0 C--O 1.212 -0.876 0 O-C-N 124.349 1.031 . . . . 0.47 111.954 175.684 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 45' ' ' MET . 24.4 mtt-85 -59.83 -39.86 86.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.971 0.415 . . . . 0.69 110.973 -172.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.45 -53.76 50.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.525 -0.761 . . . . 0.42 110.866 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.472 ' HB1' HD22 ' A' ' 74' ' ' ASN . . . -57.74 -49.31 77.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.044 0.757 . . . . 0.52 113.044 176.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.866 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 11.6 mt -80.23 -70.23 0.54 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.493 -0.321 . . . . 0.46 110.741 -170.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.7 35.87 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 119.817 -1.182 . . . . 0.55 113.755 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -115.66 144.67 43.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.293 0.547 . . . . 0.3 110.247 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -118.91 47.9 1.57 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.245 -0.434 . . . . 1.93 112.162 -173.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.49 126.46 29.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.813 -0.81 . . . . 0.93 108.813 167.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.614 ' O ' HG22 ' A' ' 60' ' ' VAL . 4.5 p-10 -41.03 -45.03 2.55 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 115.264 1.579 . . . . 0.7 115.264 -172.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' C ' HD22 ' A' ' 46' ' ' LEU . 17.0 m-20 -64.24 -34.84 79.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 119.267 0.94 . . . . 2.31 109.869 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -69.11 -35.81 76.84 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.483 -1.235 . . . . 0.13 111.324 174.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.7 m -74.38 -36.45 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 119.947 -0.701 . . . . 0.25 109.997 -177.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -67.27 -36.15 80.98 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.997 -0.547 . . . . 1.71 110.17 175.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.523 ' HB2' HD13 ' A' ' 46' ' ' LEU . 74.7 t80 -60.78 -54.75 41.37 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.958 -0.756 . . . . 0.18 108.958 173.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.598 ' HA ' HD22 ' A' ' 67' ' ' ASN . 0.6 OUTLIER -51.01 -60.29 3.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.25 -0.886 . . . . 1.44 111.145 176.54 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.8 m -43.21 -43.89 4.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.875 0.695 . . . . 1.3 112.875 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.552 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 8.6 t90 -81.33 -48.52 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.029 0.442 . . . . 0.23 111.704 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.646 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 40.3 t-105 -77.53 -23.34 50.18 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.149 -0.478 . . . . 0.39 111.925 -171.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.598 HD22 ' HA ' ' A' ' 63' ' ' ARG . 17.9 m-80 -95.22 -0.32 53.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.119 0.485 . . . . 0.38 111.29 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.0 m -93.32 -14.99 26.25 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.646 0.736 . . . . 0.85 109.147 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 6.7 ptp180 -114.08 -61.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.015 -0.993 . . . . 1.7 110.864 -175.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.534 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 24.2 m -100.75 -59.69 1.66 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.756 -1.111 . . . . 0.33 111.925 -174.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.604 ' C ' ' HG3' ' A' ' 72' ' ' MET . 40.8 mtpt 76.73 17.86 1.73 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 114.302 -1.317 . . . . 1.2 110.191 -172.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.604 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 44.82 -164.5 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 113.813 -1.539 . . . . 1.2 114.979 171.144 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 76' ' ' TYR . . . -145.52 78.58 1.55 Allowed 'General case' 0 N--CA 1.431 -1.403 0 CA-C-N 114.12 -1.4 . . . . 0.93 107.553 -176.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.472 HD22 ' HB1' ' A' ' 51' ' ' ALA . 13.8 m120 -18.85 -52.11 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 O-C-N 125.862 1.977 . . . . 2.37 114.21 -173.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.504 ' HA ' HH22 ' A' ' 47' ' ' ARG . 4.8 p-10 -165.16 43.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.685 0.755 . . . . 2.38 109.612 167.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.435 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 76.5 m-85 . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.077 -0.965 . . . . 1.7 109.985 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.833 0 N-CA-C 111.805 -0.518 . . . . 1.46 111.805 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.708 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -125.96 -149.88 0.43 Allowed 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 110.006 -0.368 . . . . 1.21 110.006 -178.887 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.55 ' CG ' ' HD2' ' A' ' 15' ' ' ARG . 1.6 m-85 -142.06 -168.26 2.66 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.921 -0.582 . . . . 0.79 110.154 -172.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HD3' ' CG ' ' A' ' 45' ' ' MET . 26.2 ttp85 -160.12 146.27 15.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.623 -0.717 . . . . 1.67 109.798 170.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.27 45.68 93.86 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.002 -0.618 . . . . 1.39 112.907 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.55 ' HD2' ' CG ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -153.92 40.29 0.49 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.572 0.701 . . . . 1.85 110.489 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.75 27.47 70.79 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.419 -0.896 . . . . 1.05 110.927 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.452 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -56.79 128.54 17.35 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.837 0 CA-C-O 122.146 0.974 . . . . 0.43 112.865 -177.113 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.81 -8.24 14.93 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 113.343 -1.753 . . . . 0.35 108.424 173.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.864 HD13 ' N ' ' A' ' 20' ' ' THR . 3.4 tm? 59.95 173.46 0.09 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 114.64 -1.163 . . . . 1.14 109.215 175.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.864 ' N ' HD13 ' A' ' 19' ' ' LEU . 15.3 t -61.33 172.95 0.98 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.78 -1.2 . . . . 0.88 109.941 172.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.71 -57.19 7.63 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.237 0.828 . . . . 2.15 113.237 -168.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.39 -62.79 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.093 0.473 . . . . 2.05 111.697 -174.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.709 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -45.49 -40.93 9.03 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.768 1.396 . . . . 2.01 114.768 -175.349 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.812 ' CE2' HG21 ' A' ' 40' ' ' VAL . 36.5 t80 -65.29 -58.14 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.663 0.665 . . . . 0.22 110.507 -177.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.05 -49.01 52.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.429 0.633 . . . . 1.8 111.232 172.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.56 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 42.3 mt-10 -71.15 -15.99 62.52 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.62 -0.718 . . . . 1.27 112.202 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.641 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -62.87 -38.03 89.26 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.575 -0.528 . . . . 0.16 109.575 168.686 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 68.6 mtm180 -60.98 -35.11 75.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.769 -0.65 . . . . 2.63 109.427 177.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -74.62 -36.64 62.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.763 -0.653 . . . . 0.97 110.508 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 10.7 t-160 -53.54 -40.3 65.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.14 110.196 173.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.602 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 10.9 m120 -53.26 -52.68 58.23 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.071 0.463 . . . . 1.78 110.444 173.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.2 -60.56 3.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.2 -0.909 . . . . 0.19 112.087 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.414 ' HB3' ' HZ2' ' A' ' 65' ' ' TRP . 23.8 t -64.96 -26.89 68.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.306 0.854 . . . . 0.27 113.306 -169.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -99.99 1.64 42.74 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.268 -0.573 . . . . 1.04 112.245 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.563 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 54.47 58.4 4.95 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.444 -0.798 . . . . 1.27 110.759 177.172 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.656 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -145.26 -179.33 6.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.153 -0.931 . . . . 0.36 108.524 -177.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -137.51 46.1 2.15 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.841 -1.17 . . . . 1.0 107.841 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.656 HD22 HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -75.54 148.32 39.0 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 113.778 -1.555 . . . . 0.34 110.129 -176.161 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -87.98 170.84 10.78 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.473 -0.566 . . . . 0.64 109.473 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.812 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.03 -42.78 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 120.634 -0.426 . . . . 0.19 110.824 -172.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 45' ' ' MET . 32.1 mt-10 -48.46 -50.54 30.97 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.765 0.666 . . . . 0.82 110.776 -178.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.503 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.9 m-20 -55.07 -46.65 75.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.66 111.953 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.647 ' HD1' HD23 ' A' ' 44' ' ' LEU . 4.9 t80 -57.58 -53.39 58.72 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.42 0.629 . . . . 0.23 109.917 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.792 HD21 HG22 ' A' ' 40' ' ' VAL . 3.3 mt -52.03 -35.18 46.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.157 -1.383 . . . . 0.17 109.961 -176.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.535 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 53.1 mtm -65.85 -57.27 8.3 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.827 0.705 . . . . 1.27 110.819 175.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 42' ' ' ASP . 20.2 mt -48.0 -56.02 8.67 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.724 -0.671 . . . . 0.14 111.113 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.619 ' NE ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -61.74 -50.14 73.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.158 -0.928 . . . . 2.08 110.94 -179.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.865 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 7.0 m170 -40.08 -61.0 0.94 Allowed 'General case' 0 C--O 1.216 -0.666 0 O-C-N 123.759 0.662 . . . . 0.47 111.134 173.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 45' ' ' MET . 17.3 mtt180 -58.63 -43.25 89.65 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.911 0.386 . . . . 0.69 110.888 -172.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.23 -55.85 28.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.658 -0.701 . . . . 0.42 111.121 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.46 ' HB1' HD22 ' A' ' 74' ' ' ASN . . . -54.17 -47.91 71.48 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.085 0.554 . . . . 0.52 112.279 176.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.865 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 14.6 mt -80.0 -71.15 0.47 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.209 -0.45 . . . . 0.46 110.894 -171.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.27 47.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.632 -0.794 . . . . 0.55 112.388 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.514 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -129.11 146.44 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.667 -0.314 . . . . 0.3 110.2 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -123.77 48.29 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.795 0.665 . . . . 1.93 112.795 -171.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.16 130.43 43.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.318 -0.623 . . . . 0.93 109.318 167.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.668 ' O ' HG22 ' A' ' 60' ' ' VAL . 4.1 p-10 -44.26 -43.51 7.35 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 115.227 1.566 . . . . 0.7 115.227 -171.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 46' ' ' LEU . 34.9 m-20 -65.85 -35.32 80.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 119.343 0.974 . . . . 2.31 109.318 -177.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.0 -34.84 78.64 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.316 -1.311 . . . . 0.13 111.327 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 57' ' ' ASN . 2.9 m -75.23 -39.04 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 C-N-CA 120.068 -0.653 . . . . 0.25 110.2 -177.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -64.2 -36.99 85.86 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.995 -0.548 . . . . 1.71 109.832 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.458 ' HB2' HD13 ' A' ' 46' ' ' LEU . 73.5 t80 -61.0 -56.45 20.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.162 -0.926 . . . . 0.18 109.177 174.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -49.44 -61.5 2.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.132 -0.94 . . . . 1.44 111.428 177.387 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.457 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 62.9 m -49.84 -47.86 51.37 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.841 0.682 . . . . 1.3 112.841 -177.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.499 ' CE3' ' HB2' ' A' ' 66' ' ' TRP . 7.5 t90 -68.84 -50.92 45.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.968 0.413 . . . . 0.23 111.414 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.56 ' CH2' ' HB3' ' A' ' 26' ' ' GLU . 20.6 t-105 -73.59 -24.46 60.07 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.117 -0.492 . . . . 0.39 112.07 -172.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 14.6 m-80 -92.26 -0.94 57.38 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 120.99 0.424 . . . . 0.38 111.611 -175.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.6 m -94.63 -16.11 23.45 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.635 0.731 . . . . 0.85 109.162 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 65' ' ' TRP . 8.0 ptp180 -113.91 -63.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.953 -1.022 . . . . 1.7 111.322 -173.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.449 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 44.6 m -100.95 -56.59 2.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.164 -0.926 . . . . 0.33 111.596 -175.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.597 ' C ' ' HG3' ' A' ' 72' ' ' MET . 47.4 mtpt 74.41 22.61 2.12 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.226 -1.352 . . . . 1.2 110.239 -172.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.597 ' HG3' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 44.07 -164.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.014 -1.448 . . . . 1.2 114.824 172.568 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.432 ' H ' ' HB2' ' A' ' 72' ' ' MET . . . -147.39 54.05 1.07 Allowed 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 114.676 -1.147 . . . . 0.93 109.419 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.46 HD22 ' HB1' ' A' ' 51' ' ' ALA . 17.1 m120 14.55 -80.9 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 O-C-N 125.96 2.037 . . . . 2.37 113.501 -178.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -147.25 39.27 0.99 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.568 0.699 . . . . 2.38 109.768 170.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 . . . . . 0 C--O 1.248 0.985 0 CA-C-N 115.241 -0.89 . . . . 1.7 110.564 179.787 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 111.838 -0.505 . . . . 1.46 111.838 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.678 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -121.32 -156.44 0.68 Allowed 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.117 0.484 . . . . 1.21 110.484 -178.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.611 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.7 m-85 -142.17 -164.68 1.85 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.501 -0.772 . . . . 0.79 110.103 -170.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' CG ' ' HB3' ' A' ' 41' ' ' GLU . 25.4 ttp180 -161.06 146.62 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.46 -0.791 . . . . 1.67 109.569 168.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 67.18 34.82 87.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.482 -0.866 . . . . 1.39 112.695 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.611 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -145.19 37.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.189 0.518 . . . . 1.85 110.98 179.462 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.32 28.16 71.74 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.394 -0.907 . . . . 1.05 110.87 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.464 HG21 HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -52.39 132.6 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 CA-C-O 121.922 0.868 . . . . 0.43 112.713 -178.462 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.97 -7.06 14.57 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 113.905 -1.498 . . . . 0.35 108.963 175.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.869 HD22 HD22 ' A' ' 44' ' ' LEU . 64.0 tp 57.49 -172.95 0.08 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 114.76 -1.109 . . . . 1.14 109.988 177.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.586 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -78.21 161.13 27.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.66 -0.867 . . . . 0.88 108.66 170.697 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -58.52 -57.06 14.6 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.897 0.703 . . . . 2.15 112.897 -166.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -64.99 -57.79 7.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.613 -0.267 . . . . 2.05 111.232 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.61 ' HB3' HD21 ' A' ' 19' ' ' LEU . 5.2 mp0 -46.87 -42.9 18.2 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.925 0.713 . . . . 2.01 112.925 -177.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.931 ' CE2' HG21 ' A' ' 40' ' ' VAL . 25.9 t80 -65.68 -53.44 41.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.311 0.577 . . . . 0.22 110.082 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -52.08 -44.99 64.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.788 -0.642 . . . . 1.8 110.859 171.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.484 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 10.4 mm-40 -68.65 -19.83 64.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.865 -0.607 . . . . 1.27 111.836 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CD2' HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -63.73 -38.15 90.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.751 -0.463 . . . . 0.16 109.751 172.676 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -63.38 -33.54 75.77 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.434 -0.803 . . . . 2.63 109.614 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.8 -40.57 63.29 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.265 -0.425 . . . . 0.97 110.465 173.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.429 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 9.9 t-160 -50.44 -43.69 55.19 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.254 -0.43 . . . . 0.14 111.114 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.495 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 7.0 t30 -58.5 -45.48 88.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.17 0.509 . . . . 1.78 109.901 177.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.26 -61.04 2.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.297 -0.865 . . . . 0.19 112.181 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 t -57.93 -45.47 86.52 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.644 0.609 . . . . 0.27 112.644 -172.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.535 ' HD3' ' CG ' ' A' ' 65' ' ' TRP . 22.5 mmm180 -84.1 -3.38 58.04 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.698 -0.401 . . . . 1.04 111.523 -176.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 58.59 32.72 22.46 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.684 -0.689 . . . . 1.27 111.504 173.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.634 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.99 -167.15 1.16 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.88 -0.6 . . . . 0.36 109.86 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -141.21 107.34 5.21 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.69 -0.855 . . . . 1.0 108.69 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.634 HD22 HD13 ' A' ' 36' ' ' LEU . 1.8 pt? -141.79 159.1 42.91 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.537 0.684 . . . . 0.34 111.204 -178.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -93.95 178.05 5.78 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.605 -1.179 . . . . 0.64 108.53 172.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.931 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -69.12 -41.12 81.35 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 C-N-CA 119.825 -0.75 . . . . 0.19 110.412 -173.583 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.507 ' HB3' ' CG ' ' A' ' 13' ' ' ARG . 25.0 mt-10 -49.28 -48.11 46.27 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.68 0.612 . . . . 0.82 110.35 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 5.4 m-20 -56.4 -43.59 79.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.463 -0.789 . . . . 0.66 111.59 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.541 ' CG ' ' HB2' ' A' ' 27' ' ' TRP . 27.3 t80 -60.67 -51.63 68.58 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.451 0.643 . . . . 0.23 109.78 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.869 HD22 HD22 ' A' ' 19' ' ' LEU . 2.0 mt -56.57 -32.31 65.06 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 114.191 -1.368 . . . . 0.17 109.931 -173.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.628 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 69.3 mtm -65.21 -58.58 5.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.842 0.714 . . . . 1.27 111.016 175.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 62' ' ' PHE . 16.1 mt -50.52 -54.0 25.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.982 -0.554 . . . . 0.14 111.084 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 47' ' ' ARG . 6.1 ttt180 -58.08 -54.39 47.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.284 -0.871 . . . . 2.08 110.823 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.895 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -41.92 -63.07 0.79 Allowed 'General case' 0 C--O 1.216 -0.699 0 O-C-N 123.828 0.705 . . . . 0.47 111.474 175.497 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' A' ' 45' ' ' MET . 21.1 mtt-85 -57.0 -46.48 82.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.763 0.316 . . . . 0.69 110.712 -171.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.36 -54.23 49.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.504 -0.771 . . . . 0.42 111.066 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.42 -39.08 78.81 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.679 0.622 . . . . 0.52 112.679 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.895 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 17.8 mt -82.69 -72.62 0.44 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.363 -0.381 . . . . 0.46 110.244 -175.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.08 13.47 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.491 -0.862 . . . . 0.55 113.013 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -90.39 135.78 33.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.928 0.394 . . . . 0.3 111.275 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -112.07 45.62 1.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.492 0.553 . . . . 1.93 112.492 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.69 ' O ' HG13 ' A' ' 60' ' ' VAL . 9.5 t70 -61.0 158.29 13.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.104 -1.073 . . . . 0.93 108.104 166.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.498 ' HA ' HG22 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -79.4 -39.46 32.44 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 117.56 -1.656 . . . . 0.7 111.199 -164.347 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.446 ' C ' HD22 ' A' ' 46' ' ' LEU . 9.4 m-20 -62.86 -30.27 71.38 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.826 -0.805 . . . . 2.31 108.826 -178.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.2 -40.31 62.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.498 -1.228 . . . . 0.13 111.626 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 56' ' ' ASP . 7.7 m -73.59 -33.91 40.38 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.204 0 C-N-CA 119.992 -0.683 . . . . 0.25 110.195 -178.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -71.58 -33.82 69.39 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.137 -0.483 . . . . 1.71 110.121 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.477 ' HB2' HD13 ' A' ' 46' ' ' LEU . 76.1 t80 -60.06 -54.9 40.47 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.06 -0.719 . . . . 0.18 109.06 171.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.545 ' HA ' HD22 ' A' ' 67' ' ' ASN . 0.0 OUTLIER -50.65 -59.1 4.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.748 -1.115 . . . . 1.44 110.778 175.922 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 t -40.87 -51.26 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.008 0.817 . . . . 1.3 112.156 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.535 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 7.7 t90 -76.67 -51.1 12.14 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.831 0.308 . . . . 0.23 111.831 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.621 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 32.4 t-105 -73.8 -23.02 59.63 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.374 0.27 . . . . 0.39 111.72 -169.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.545 HD22 ' HA ' ' A' ' 63' ' ' ARG . 11.4 m-80 -92.03 -3.31 55.96 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.272 0.558 . . . . 0.38 110.685 -174.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 m -92.49 -17.09 24.98 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 121.483 0.659 . . . . 0.85 109.846 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.48 -64.04 1.36 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.84 -1.073 . . . . 1.7 111.212 -175.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.8 m -103.58 -57.66 2.0 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.897 -1.047 . . . . 0.33 112.644 -172.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.553 ' C ' ' HG3' ' A' ' 72' ' ' MET . 49.1 mtpt 75.94 21.98 1.51 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 114.756 -1.111 . . . . 1.2 110.588 -176.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.621 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 40.55 -122.88 0.45 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.629 -1.169 . . . . 1.2 113.452 176.149 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASP . . . 165.61 96.37 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 105.817 -1.919 . . . . 0.93 105.817 -163.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -62.5 76.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.924 0.765 . . . . 2.37 111.148 -173.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER 69.16 20.88 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.717 0.807 . . . . 2.38 110.795 177.608 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.402 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 70.5 m-85 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.65 -0.691 . . . . 1.7 109.763 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.866 -0.494 . . . . 1.46 111.866 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.7 HG21 ' HA ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -110.21 -151.97 0.49 Allowed 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 110.057 -0.349 . . . . 1.21 110.057 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.586 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . 2.3 m-85 -140.81 -165.3 1.91 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.002 -0.545 . . . . 0.79 110.79 -174.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 14' ' ' GLY . 32.3 ttp180 -168.13 158.53 10.31 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.819 -1.082 . . . . 1.67 108.816 171.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . 67.8 21.07 72.9 Favored Glycine 0 N--CA 1.454 -0.112 0 C-N-CA 120.514 -0.85 . . . . 1.39 112.142 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.586 ' HD2' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -139.99 -166.57 2.12 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.921 -0.77 . . . . 1.85 108.921 178.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.35 57.29 1.57 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.455 -0.879 . . . . 1.05 111.168 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.418 ' CG1' ' HB2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -72.08 125.36 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-O 122.211 1.005 . . . . 0.43 112.706 -178.531 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.01 -3.41 20.1 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 113.264 -1.789 . . . . 0.35 108.145 172.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.767 HD22 HD22 ' A' ' 44' ' ' LEU . 52.4 tp 55.28 -99.86 0.1 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 113.912 -1.494 . . . . 1.14 110.987 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.593 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 41.4 p -128.44 -176.04 3.7 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.459 -0.791 . . . . 0.88 109.531 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -79.56 -39.23 32.32 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 119.678 -0.809 . . . . 2.15 109.185 168.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -86.97 -62.95 1.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.594 -0.73 . . . . 2.05 112.414 -171.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HG2' ' NH1' ' A' ' 47' ' ' ARG . 30.1 mp0 -58.9 -37.47 76.68 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 112.89 0.7 . . . . 2.01 112.89 -173.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.783 ' CE2' HG21 ' A' ' 40' ' ' VAL . 40.2 t80 -60.18 -57.35 13.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.59 -0.522 . . . . 0.22 109.59 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -45.47 -46.24 13.54 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.301 0.572 . . . . 1.8 111.695 167.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.549 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 6.8 mm-40 -73.19 -18.72 61.23 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.296 0.48 . . . . 1.27 112.296 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.592 ' CD2' HG23 ' A' ' 40' ' ' VAL . 1.9 t90 -62.34 -39.19 92.29 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 109.231 -0.655 . . . . 0.16 109.231 171.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 44.4 mtm180 -61.41 -37.16 82.48 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.008 -0.996 . . . . 2.63 109.835 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.06 -33.16 63.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.318 -0.401 . . . . 0.97 110.341 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.474 ' HB3' ' O ' ' A' ' 27' ' ' TRP . 12.9 t-160 -56.66 -36.18 69.25 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.788 -0.449 . . . . 0.14 109.788 173.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.557 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 14.4 m120 -56.99 -50.6 72.18 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.601 0.563 . . . . 1.78 110.031 175.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.12 -60.52 2.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.218 -0.901 . . . . 0.19 112.214 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 t -62.6 -42.32 99.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.47 0.545 . . . . 0.27 112.47 -169.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -87.15 4.14 43.53 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.575 -0.45 . . . . 1.04 112.102 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 54.14 55.79 7.81 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 114.975 -1.011 . . . . 1.27 111.605 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.673 HD13 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -143.14 -178.33 5.79 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.647 -0.872 . . . . 0.36 108.647 -177.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' HA ' HD22 ' A' ' 31' ' ' ASN . 26.8 t0 -136.58 36.54 2.68 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.781 -1.192 . . . . 1.0 107.781 -176.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.673 HD22 HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -62.52 145.63 53.77 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 113.745 -1.57 . . . . 0.34 110.518 -176.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.8 m -81.83 177.45 8.87 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.007 -0.542 . . . . 0.64 109.949 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.783 HG21 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -71.25 -44.77 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 C-N-CA 120.106 -0.637 . . . . 0.19 110.836 -172.613 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' A' ' 45' ' ' MET . 46.3 mt-10 -49.21 -46.93 46.46 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 123.404 0.44 . . . . 0.82 110.381 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.5 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.3 m-20 -55.17 -45.2 75.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.958 -0.564 . . . . 0.66 111.889 176.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.516 ' CD2' ' HB2' ' A' ' 27' ' ' TRP . 13.5 t80 -58.12 -50.6 72.94 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.558 0.694 . . . . 0.23 109.412 176.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.767 HD22 HD22 ' A' ' 19' ' ' LEU . 2.5 mt -60.4 -27.25 67.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.308 -1.315 . . . . 0.17 109.842 -174.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 30.0 mtm -66.81 -59.46 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 1.27 110.112 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 62' ' ' PHE . 13.8 mt -52.04 -49.57 63.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.011 -0.995 . . . . 0.14 111.216 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.553 ' CD ' HD11 ' A' ' 19' ' ' LEU . 7.1 ttt85 -60.94 -60.33 3.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.056 -0.974 . . . . 2.08 110.933 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.911 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 9.8 m170 -42.71 -57.51 2.71 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 123.953 0.783 . . . . 0.47 111.315 177.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.537 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 21.9 mtt-85 -56.89 -50.4 72.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.603 -0.439 . . . . 0.69 110.735 -171.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.34 -53.08 62.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.53 -0.759 . . . . 0.42 111.262 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.701 ' HA ' ' ND2' ' A' ' 74' ' ' ASN . . . -58.27 -36.02 72.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 112.773 0.657 . . . . 0.52 112.773 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.911 ' HG ' ' O ' ' A' ' 48' ' ' HIS . 16.4 mt -88.0 -74.45 0.45 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 121.079 -0.248 . . . . 0.46 110.671 -174.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.87 35.9 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.867 -0.682 . . . . 0.55 112.427 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.537 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -117.11 133.44 56.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 0.3 110.324 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -114.24 47.71 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.239 0.542 . . . . 1.93 111.378 -173.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 12.0 t70 -66.71 123.16 19.34 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.193 -1.04 . . . . 0.93 108.193 168.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -45.54 -36.74 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.922 1.453 . . . . 0.7 114.922 -169.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.427 ' C ' HD22 ' A' ' 46' ' ' LEU . 10.5 m-20 -64.2 -40.54 96.29 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.625 -0.88 . . . . 2.31 108.625 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.98 81.15 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.134 -1.394 . . . . 0.13 111.634 176.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 m -76.3 -35.66 27.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.291 0 C-N-CA 119.745 -0.782 . . . . 0.25 110.118 -176.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -72.84 -30.34 63.94 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 110.149 -0.315 . . . . 1.71 110.149 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' HB2' HD13 ' A' ' 46' ' ' LEU . 82.5 t80 -59.03 -55.81 30.37 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.562 -0.903 . . . . 0.18 108.562 168.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.579 ' HD3' ' N ' ' A' ' 64' ' ' SER . 1.1 tmt_? -49.13 -59.74 3.39 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.314 -0.857 . . . . 1.44 111.753 174.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.579 ' N ' ' HD3' ' A' ' 63' ' ' ARG . 13.8 t -45.44 -50.55 12.45 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 123.555 0.534 . . . . 1.3 111.994 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.471 ' CH2' ' CE3' ' A' ' 66' ' ' TRP . 9.6 t90 -72.74 -51.98 16.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.53 -0.305 . . . . 0.23 111.506 -178.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.631 ' HE1' ' HB3' ' A' ' 72' ' ' MET . 33.8 t-105 -71.6 -29.27 64.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.361 -0.381 . . . . 0.39 111.655 -171.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.574 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 14.2 m-80 -85.27 -0.06 53.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.218 0.532 . . . . 0.38 111.292 -176.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.4 m -93.04 -15.73 25.81 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.691 0.758 . . . . 0.85 109.142 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -115.34 -66.18 1.11 Allowed 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.624 -1.171 . . . . 1.7 110.797 -173.082 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 24.0 m -105.82 -55.99 2.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.638 -1.164 . . . . 0.33 112.377 -172.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.622 ' C ' ' HG3' ' A' ' 72' ' ' MET . 57.1 mtpt 77.67 11.14 2.14 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 114.747 -1.115 . . . . 1.2 111.468 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.631 ' HB3' ' HE1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER 43.53 -156.62 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 O-C-N 124.45 1.094 . . . . 1.2 113.124 176.412 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.465 ' H ' ' HB2' ' A' ' 72' ' ' MET . . . -143.23 77.6 1.57 Allowed 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 107.509 -1.293 . . . . 0.93 107.509 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.701 ' ND2' ' HA ' ' A' ' 51' ' ' ALA . 2.5 m120 -23.75 -51.33 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 O-C-N 125.451 1.72 . . . . 2.37 114.68 -170.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -153.09 26.63 0.53 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.519 0.676 . . . . 2.38 109.478 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.24 -0.886 . . . . 1.7 110.474 -175.344 . . . . . . . . 0 0 . 1 stop_ save_